1-[(1-phenyltetrazol-5-yl)methyl]azepane

C14H19N5 — CID 47010715

IUPAC1-[(1-phenyltetrazol-5-yl)methyl]azepane
SMILESc1ccc(-n2nnnc2CN2CCCCCC2)cc1
InChIInChI=1S/C14H19N5/c1-2-7-11-18(10-6-1)12-14-15-16-17-19(14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyDNDRVPVJYBSOCA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds3

About 1-[(1-phenyltetrazol-5-yl)methyl]azepane

1-[(1-phenyltetrazol-5-yl)methyl]azepane (PubChem CID 47010715) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(1-phenyltetrazol-5-yl)methyl]azepane.

Molecular Properties

Compound Name1-[(1-phenyltetrazol-5-yl)methyl]azepane
PubChem CID47010715
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[(1-phenyltetrazol-5-yl)methyl]azepane
SMILESc1ccc(-n2nnnc2CN2CCCCCC2)cc1
InChIInChI=1S/C14H19N5/c1-2-7-11-18(10-6-1)12-14-15-16-17-19(14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKeyDNDRVPVJYBSOCA-UHFFFAOYSA-N
XLogP2.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1-phenyltetrazol-5-yl)methyl]azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
(3R,4S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 79410432
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
phenyl-[(2S)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95332947
1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 30858508
1-[(3-methylphenyl)methyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 34127088
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
1-(3-methylphenyl)-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 18124637
2-methoxy-1-[2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]ethanone
CID 56804516
(2R)-2-[1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-yl]-N-propan-2-ylazepane-1-carboxamide
CID 95348571
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
(4-chlorophenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 47536185

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenyltetrazol-5-yl)methyl]azepane?
The IUPAC name of 1-[(1-phenyltetrazol-5-yl)methyl]azepane (CID 47010715) is 1-[(1-phenyltetrazol-5-yl)methyl]azepane.
What is the SMILES notation for 1-[(1-phenyltetrazol-5-yl)methyl]azepane?
The canonical SMILES for 1-[(1-phenyltetrazol-5-yl)methyl]azepane is c1ccc(-n2nnnc2CN2CCCCCC2)cc1.
What is the InChIKey of 1-[(1-phenyltetrazol-5-yl)methyl]azepane?
The InChIKey is DNDRVPVJYBSOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-7-11-18(10-6-1)12-14-15-16-17-19(14)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2.
What are the key properties of 1-[(1-phenyltetrazol-5-yl)methyl]azepane?
1-[(1-phenyltetrazol-5-yl)methyl]azepane has a molecular weight of 257.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenyltetrazol-5-yl)methyl]azepane is sourced from PubChem (CID 47010715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).