N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide

C10H17N5O — CID 64563265

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCCCN1
InChIInChI=1S/C10H17N5O/c16-10(8-4-2-1-3-5-11-8)12-6-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyZAGLBKXQRPJCPK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.05
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide (PubChem CID 64563265) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
PubChem CID64563265
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCCCN1
InChIInChI=1S/C10H17N5O/c16-10(8-4-2-1-3-5-11-8)12-6-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15)
InChIKeyZAGLBKXQRPJCPK-UHFFFAOYSA-N
XLogP-0.05
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide 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

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 93431387
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 54884851
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 45116189
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide (CID 64563265) is N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide is O=C(NCc1ncn[nH]1)C1CCCCCN1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide?
The InChIKey is ZAGLBKXQRPJCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-10(8-4-2-1-3-5-11-8)12-6-9-13-7-14-15-9/h7-8,11H,1-6H2,(H,12,16)(H,13,14,15).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 64563265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).