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

C9H14N4O2 — CID 104927988

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cn[nH]n1
InChIInChI=1S/C9H14N4O2/c14-8-4-2-1-3-6(8)11-9(15)7-5-10-13-12-7/h5-6,8,14H,1-4H2,(H,11,15)(H,10,12,13)/t6-,8-/m1/s1
InChIKeySRUHHIKXBHNLLN-HTRCEHHLSA-N
MW210.24 g/mol
LogP-0.16
Rot. Bonds2

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

N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide (PubChem CID 104927988) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
PubChem CID104927988
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1cn[nH]n1
InChIInChI=1S/C9H14N4O2/c14-8-4-2-1-3-6(8)11-9(15)7-5-10-13-12-7/h5-6,8,14H,1-4H2,(H,11,15)(H,10,12,13)/t6-,8-/m1/s1
InChIKeySRUHHIKXBHNLLN-HTRCEHHLSA-N
XLogP-0.16
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorocyclopentyl)-2H-triazole-4-carboxamide
CID 106444127
N-(4-chlorooxolan-3-yl)-2H-triazole-4-carboxamide
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N-(2-cyclopropyloxolan-3-yl)-2H-triazole-4-carboxamide
CID 103865049
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104927278
N-(4-ethylcyclohexyl)-2H-triazole-4-carboxamide
CID 112733318
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
5-amino-N-(2-hydroxycycloheptyl)-1H-pyrazole-4-carboxamide
CID 113394881
2H-triazole-4-carbohydrazide
CID 50989778
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
N-(6-oxopiperidin-3-yl)-2H-triazole-4-carboxamide
CID 78918284
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2H-triazole-4-carboxamide
CID 112733260

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide (CID 104927988) is N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)c1cn[nH]n1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide?
The InChIKey is SRUHHIKXBHNLLN-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8-4-2-1-3-6(8)11-9(15)7-5-10-13-12-7/h5-6,8,14H,1-4H2,(H,11,15)(H,10,12,13)/t6-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 104927988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).