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

C11H19N5O — CID 64748041

IUPAC3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC1CCCC(NC(=O)c2nc(N)n[nH]2)C1
InChIInChI=1S/C11H19N5O/c1-2-7-4-3-5-8(6-7)13-10(17)9-14-11(12)16-15-9/h7-8H,2-6H2,1H3,(H,13,17)(H3,12,14,15,16)
InChIKeyXEPIPAINUVYSMB-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.09
Rot. Bonds3

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

3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 64748041) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID64748041
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCCC1CCCC(NC(=O)c2nc(N)n[nH]2)C1
InChIInChI=1S/C11H19N5O/c1-2-7-4-3-5-8(6-7)13-10(17)9-14-11(12)16-15-9/h7-8H,2-6H2,1H3,(H,13,17)(H3,12,14,15,16)
InChIKeyXEPIPAINUVYSMB-UHFFFAOYSA-N
XLogP1.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64747408
3-amino-N-(1,1-dioxothian-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63923924
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 114148147
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808266
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 64748041) is 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is CCC1CCCC(NC(=O)c2nc(N)n[nH]2)C1.
What is the InChIKey of 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is XEPIPAINUVYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-7-4-3-5-8(6-7)13-10(17)9-14-11(12)16-15-9/h7-8H,2-6H2,1H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 64748041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).