3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide

C10H17N5O — CID 79870738

IUPAC3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H17N5O/c1-10(2)5-3-4-6(10)12-8(16)7-13-9(11)15-14-7/h6H,3-5H2,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyFMZSTOVVYUQZLY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.70
Rot. Bonds2

About 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79870738) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID79870738
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1(C)CCCC1NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H17N5O/c1-10(2)5-3-4-6(10)12-8(16)7-13-9(11)15-14-7/h6H,3-5H2,1-2H3,(H,12,16)(H3,11,13,14,15)
InChIKeyFMZSTOVVYUQZLY-UHFFFAOYSA-N
XLogP0.70
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
N-(2-Ethylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 580553
3-amino-N-((1r,4r)-4-aminocyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792684
N-((1r,4r)-4-aminocyclohexyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 80372704
N-((1r,4r)-4-aminocyclohexyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 80372864
N-(4,4-dimethylpentyl)-1H-1,2,4-triazole-5-carboxamide
CID 59380883
5-(cyclopentylmethyl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
CID 146641452
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 1164581
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 1164583
N-[(1S,5R)-3,3,5-trimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 1164585
N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 1164586
N-[(2S)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide (CID 79870738) is 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide is CC1(C)CCCC1NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FMZSTOVVYUQZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2)5-3-4-6(10)12-8(16)7-13-9(11)15-14-7/h6H,3-5H2,1-2H3,(H,12,16)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79870738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).