5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one

C15H19ClN4O2 — CID 166350017

IUPAC5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one
SMILESCO[C@@H]1CCCC[C@H]1n1cc(Cn2cc(Cl)ccc2=O)nn1
InChIInChI=1S/C15H19ClN4O2/c1-22-14-5-3-2-4-13(14)20-10-12(17-18-20)9-19-8-11(16)6-7-15(19)21/h6-8,10,13-14H,2-5,9H2,1H3/t13-,14-/m1/s1
InChIKeyHPLJIBWXKBLRMQ-ZIAGYGMSSA-N
MW322.80 g/mol
LogP2.27
Rot. Bonds4

About 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one

5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one (PubChem CID 166350017) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one
PubChem CID166350017
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one
SMILESCO[C@@H]1CCCC[C@H]1n1cc(Cn2cc(Cl)ccc2=O)nn1
InChIInChI=1S/C15H19ClN4O2/c1-22-14-5-3-2-4-13(14)20-10-12(17-18-20)9-19-8-11(16)6-7-15(19)21/h6-8,10,13-14H,2-5,9H2,1H3/t13-,14-/m1/s1
InChIKeyHPLJIBWXKBLRMQ-ZIAGYGMSSA-N
XLogP2.27
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one (CID 166350017) is 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one is CO[C@@H]1CCCC[C@H]1n1cc(Cn2cc(Cl)ccc2=O)nn1.
What is the InChIKey of 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one?
The InChIKey is HPLJIBWXKBLRMQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-22-14-5-3-2-4-13(14)20-10-12(17-18-20)9-19-8-11(16)6-7-15(19)21/h6-8,10,13-14H,2-5,9H2,1H3/t13-,14-/m1/s1.
What are the key properties of 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one?
5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one has a molecular weight of 322.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[1-[(1R,2R)-2-methoxycyclohexyl]triazol-4-yl]methyl]pyridin-2-one is sourced from PubChem (CID 166350017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).