N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide

C10H17N5O — CID 107172492

IUPACN-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)C1CCCNCC1
InChIInChI=1S/C10H17N5O/c1-15(8-3-2-5-11-6-4-8)10(16)9-7-12-14-13-9/h7-8,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyIEIPSVWSOIDAMY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds2

About N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide

N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide (PubChem CID 107172492) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
PubChem CID107172492
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]n1)C1CCCNCC1
InChIInChI=1S/C10H17N5O/c1-15(8-3-2-5-11-6-4-8)10(16)9-7-12-14-13-9/h7-8,11H,2-6H2,1H3,(H,12,13,14)
InChIKeyIEIPSVWSOIDAMY-UHFFFAOYSA-N
XLogP0.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-methyl-2H-triazole-4-carboxamide
CID 115649346
N-methyl-N-(3-methylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733346
N-(azepan-4-yl)-5-fluoro-N-methylpyridine-2-carboxamide
CID 107172496
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
CID 114022842
N,5-dimethyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602095
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
N-(azepan-4-yl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 107172588
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
N-(azepan-4-yl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 104974422

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide (CID 107172492) is N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide is CN(C(=O)c1cn[nH]n1)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is IEIPSVWSOIDAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15(8-3-2-5-11-6-4-8)10(16)9-7-12-14-13-9/h7-8,11H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide?
N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 107172492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).