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

C9H15N5O2 — CID 94600004

IUPAC3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(16)11-5-3-1-2-4-6(5)15/h5-6,15H,1-4H2,(H,11,16)(H3,10,12,13,14)/t5-,6-/m1/s1
InChIKeyBSSIXNQVQBPXLO-PHDIDXHHSA-N
MW225.25 g/mol
LogP-0.58
Rot. Bonds2

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

3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 94600004) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID94600004
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2O)n1
InChIInChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(16)11-5-3-1-2-4-6(5)15/h5-6,15H,1-4H2,(H,11,16)(H3,10,12,13,14)/t5-,6-/m1/s1
InChIKeyBSSIXNQVQBPXLO-PHDIDXHHSA-N
XLogP-0.58
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
CID 113394753
3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
CID 62807330
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
3-amino-N-(2-hydroxycyclohexyl)-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 102632028
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1,2,5-oxadiazole-3-carboxamide
CID 94548891
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808266
3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 133134619
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
CID 104927988
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 114148147

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide (CID 94600004) is 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2O)n1.
What is the InChIKey of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BSSIXNQVQBPXLO-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-9-12-7(13-14-9)8(16)11-5-3-1-2-4-6(5)15/h5-6,15H,1-4H2,(H,11,16)(H3,10,12,13,14)/t5-,6-/m1/s1.
What are the key properties of 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 94600004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).