3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide

C10H17N5O2 — CID 114148147

IUPAC3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CCCC(O)C2)n1
InChIInChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(17)12-5-6-2-1-3-7(16)4-6/h6-7,16H,1-5H2,(H,12,17)(H3,11,13,14,15)
InChIKeyKOWKFVXGPHDYHW-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.33
Rot. Bonds3

About 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 114148147) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID114148147
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NCC2CCCC(O)C2)n1
InChIInChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(17)12-5-6-2-1-3-7(16)4-6/h6-7,16H,1-5H2,(H,12,17)(H3,11,13,14,15)
InChIKeyKOWKFVXGPHDYHW-UHFFFAOYSA-N
XLogP-0.33
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
3-amino-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792850
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807019
4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 114148196
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
CID 62807330

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 114148147) is 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NCC2CCCC(O)C2)n1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KOWKFVXGPHDYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-10-13-8(14-15-10)9(17)12-5-6-2-1-3-7(16)4-6/h6-7,16H,1-5H2,(H,12,17)(H3,11,13,14,15).
What are the key properties of 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 114148147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).