Name: Name:{5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepin-7-yl}methanol
Brand: Angene
SKU: AG01C1TA
Rating: 90 (10 reviews)

{5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepin-7-yl}methanol

CAS No.:

1936339-83-1

Catalog Number:

AG01C1TA

Molecular Formula:

C7H12N4O

Molecular Weight:

168.1964

Catalog Number:

AG01C1TA

Chemical Name:

{5H,6H,7H,8H,9H-[1,2,3,4]tetrazolo[1,5-a]azepin-7-yl}methanol

CAS Number:

1936339-83-1

Molecular Formula:

C7H12N4O

Molecular Weight:

168.1964

MDL Number:

MFCD30180325

IUPAC Name:

6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-ylmethanol

InChI:

InChI=1S/C7H12N4O/c12-5-6-1-2-7-8-9-10-11(7)4-3-6/h6,12H,1-5H2

InChI Key:

CYLRMVXIQZFBIV-UHFFFAOYSA-N

SMILES:

OCC1CCn2c(CC1)nnn2

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.2g/mol

Monoisotopic Mass:

168.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6