Name: Name:5-(propan-2-yl)-4,6,12-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene
Brand: Angene
SKU: AG01BV6Q
Rating: 90 (10 reviews)

5-(propan-2-yl)-4,6,12-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene

CAS No.:

1381486-17-4

Catalog Number:

AG01BV6Q

Molecular Formula:

C12H17N3

Molecular Weight:

203.2835

Catalog Number:

AG01BV6Q

Chemical Name:

5-(propan-2-yl)-4,6,12-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene

CAS Number:

1381486-17-4

Molecular Formula:

C12H17N3

Molecular Weight:

203.2835

MDL Number:

MFCD30476288

IUPAC Name:

5-propan-2-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

InChI:

InChI=1S/C12H17N3/c1-7(2)12-13-6-9-10-4-3-8(14-10)5-11(9)15-12/h6-8,10,14H,3-5H2,1-2H3

InChI Key:

KZJGCZHUEZWMEL-UHFFFAOYSA-N

SMILES:

CC(c1ncc2c(n1)CC1NC2CC1)C

Complexity:

241

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.289g/mol

Monoisotopic Mass:

203.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4