[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol

C10H11ClN4O — CID 61348282

IUPAC[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol
SMILESCc1nc(C)n(-c2ncc(CO)cc2Cl)n1
InChIInChI=1S/C10H11ClN4O/c1-6-13-7(2)15(14-6)10-9(11)3-8(5-16)4-12-10/h3-4,16H,5H2,1-2H3
InChIKeyQKFDVIMBVKJTKS-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.42
Rot. Bonds2

About [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol

[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol (PubChem CID 61348282) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol
PubChem CID61348282
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol
SMILESCc1nc(C)n(-c2ncc(CO)cc2Cl)n1
InChIInChI=1S/C10H11ClN4O/c1-6-13-7(2)15(14-6)10-9(11)3-8(5-16)4-12-10/h3-4,16H,5H2,1-2H3
InChIKeyQKFDVIMBVKJTKS-UHFFFAOYSA-N
XLogP1.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol (CID 61348282) is [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol is Cc1nc(C)n(-c2ncc(CO)cc2Cl)n1.
What is the InChIKey of [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
The InChIKey is QKFDVIMBVKJTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-13-7(2)15(14-6)10-9(11)3-8(5-16)4-12-10/h3-4,16H,5H2,1-2H3.
What are the key properties of [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol?
[5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol has a molecular weight of 238.68 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 61348282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).