trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide

C15H19N5O2 — CID 91776859

IUPACtrans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H19N5O2/c21-12-3-1-2-11(8-12)15(22)17-9-13-18-14(20-19-13)10-4-6-16-7-5-10/h4-7,11-12,21H,1-3,8-9H2,(H,17,22)(H,18,19,20)/t11-,12-/m0/s1
InChIKeyWWWHVRRYPHTZGQ-RYUDHWBXSA-N
MW301.35 g/mol
LogP1.03
Rot. Bonds4

About trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide

trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 91776859) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide
PubChem CID91776859
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Nametrans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C15H19N5O2/c21-12-3-1-2-11(8-12)15(22)17-9-13-18-14(20-19-13)10-4-6-16-7-5-10/h4-7,11-12,21H,1-3,8-9H2,(H,17,22)(H,18,19,20)/t11-,12-/m0/s1
InChIKeyWWWHVRRYPHTZGQ-RYUDHWBXSA-N
XLogP1.03
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769691
1-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]azepane-2-carboxamide
CID 72912956
1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 119315545
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 119315533
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119776095
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide (CID 91776859) is trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide is O=C(NCc1nc(-c2ccncc2)n[nH]1)[C@H]1CCC[C@H](O)C1.
What is the InChIKey of trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is WWWHVRRYPHTZGQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-12-3-1-2-11(8-12)15(22)17-9-13-18-14(20-19-13)10-4-6-16-7-5-10/h4-7,11-12,21H,1-3,8-9H2,(H,17,22)(H,18,19,20)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide?
trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91776859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).