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

C11H18N4O — CID 62590368

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCCCC1
InChIInChI=1S/C11H18N4O/c16-11(9-5-3-1-2-4-6-9)12-7-10-13-8-14-15-10/h8-9H,1-7H2,(H,12,16)(H,13,14,15)
InChIKeyNSKMCAFFGKLXIT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide (PubChem CID 62590368) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
PubChem CID62590368
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
SMILESO=C(NCc1ncn[nH]1)C1CCCCCC1
InChIInChI=1S/C11H18N4O/c16-11(9-5-3-1-2-4-6-9)12-7-10-13-8-14-15-10/h8-9H,1-7H2,(H,12,16)(H,13,14,15)
InChIKeyNSKMCAFFGKLXIT-UHFFFAOYSA-N
XLogP1.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide 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)azepane-2-carboxamide
CID 64563265
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
(3R)-1-(1-methylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 95509747
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104918546
4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 54884851
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 54885097
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
N-(1H-1,2,4-triazol-5-ylmethyl)adamantane-2-carboxamide
CID 78971785
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide (CID 62590368) is N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide is O=C(NCc1ncn[nH]1)C1CCCCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide?
The InChIKey is NSKMCAFFGKLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-11(9-5-3-1-2-4-6-9)12-7-10-13-8-14-15-10/h8-9H,1-7H2,(H,12,16)(H,13,14,15).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide is sourced from PubChem (CID 62590368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).