Name: Name:N-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}cyclopropanamine
Brand: Angene
SKU: AG01B936
Rating: 90 (10 reviews)

N-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}cyclopropanamine

CAS No.:

1095118-30-1

Catalog Number:

AG01B936

Molecular Formula:

C12H14N4

Molecular Weight:

214.2664

Catalog Number:

AG01B936

Chemical Name:

N-{[4-(1H-1,2,4-triazol-1-yl)phenyl]methyl}cyclopropanamine

CAS Number:

1095118-30-1

Molecular Formula:

C12H14N4

Molecular Weight:

214.2664

MDL Number:

MFCD11629610

IUPAC Name:

N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine

InChI:

InChI=1S/C12H14N4/c1-5-12(16-9-13-8-15-16)6-2-10(1)7-14-11-3-4-11/h1-2,5-6,8-9,11,14H,3-4,7H2

InChI Key:

IXXZZAXEPBBYGW-UHFFFAOYSA-N

SMILES:

N(C1CC1)Cc1ccc(cc1)n1ncnc1

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.272g/mol

Monoisotopic Mass:

214.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6