(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol

C11H13ClN4O — CID 114686665

IUPAC(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN4O/c1-2-5-16-9(7-14-15-16)11(17)8-3-4-10(12)13-6-8/h3-4,6-7,11,17H,2,5H2,1H3
InChIKeyMVKUTEXVDVNJTL-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.82
Rot. Bonds4

About (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol

(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol (PubChem CID 114686665) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol
PubChem CID114686665
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol
SMILESCCCn1nncc1C(O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN4O/c1-2-5-16-9(7-14-15-16)11(17)8-3-4-10(12)13-6-8/h3-4,6-7,11,17H,2,5H2,1H3
InChIKeyMVKUTEXVDVNJTL-UHFFFAOYSA-N
XLogP1.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Viminol
CID 65697
1-(2,4-Dichlorophenyl)-2-[4-(2-pyridyl)triazol-1-yl]ethanol
CID 53378325
[5-[(3-Chlorophenyl)methyl-methylamino]-2-pyridinyl]methanol
CID 12640228
(1R)-1-pyridin-3-yl-2-[4-[(2,6,6-trimethylcyclohexen-1-yl)methyl]triazol-1-yl]ethanol
CID 95187927
(R)-(1,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanol
CID 125180983
2,2,2-Trifluoro-1-[6-(2-methyltriazol-4-yl)pyridin-3-yl]ethanol
CID 71294083
(5-chloro-1-(4-fluorobutyl)-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
CID 86698872
(1-Methyl-1H-1,2,3-triazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 118006037
(1-Methyl-1H-1,2,3-triazol-5-yl)(2-(trifluoromethyl)pyridin-4-yl)methanol
CID 118021600
2,2,2-Trifluoro-1-[1-[(5-propan-2-ylpyridin-2-yl)methyl]triazol-4-yl]ethanol
CID 137411149
(3-Chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 164141682
(2-Chloro-5-fluoro-3-pyridinyl)-[1-(cyclopropylmethyl)triazol-4-yl]methanol
CID 164718670

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol?
The IUPAC name of (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol (CID 114686665) is (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol is CCCn1nncc1C(O)c1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol?
The InChIKey is MVKUTEXVDVNJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-2-5-16-9(7-14-15-16)11(17)8-3-4-10(12)13-6-8/h3-4,6-7,11,17H,2,5H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol?
(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol has a molecular weight of 252.71 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methanol is sourced from PubChem (CID 114686665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).