[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol

C16H15ClN4O2 — CID 170609059

IUPAC[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol
SMILESCc1cccc(Cl)c1COc1ccc(-n2cc(CO)nn2)nc1
InChIInChI=1S/C16H15ClN4O2/c1-11-3-2-4-15(17)14(11)10-23-13-5-6-16(18-7-13)21-8-12(9-22)19-20-21/h2-8,22H,9-10H2,1H3
InChIKeyJSZSGRVVLUMKMS-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.70
Rot. Bonds5

About [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol

[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol (PubChem CID 170609059) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol
PubChem CID170609059
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol
SMILESCc1cccc(Cl)c1COc1ccc(-n2cc(CO)nn2)nc1
InChIInChI=1S/C16H15ClN4O2/c1-11-3-2-4-15(17)14(11)10-23-13-5-6-16(18-7-13)21-8-12(9-22)19-20-21/h2-8,22H,9-10H2,1H3
InChIKeyJSZSGRVVLUMKMS-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol?
The IUPAC name of [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol (CID 170609059) is [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol is Cc1cccc(Cl)c1COc1ccc(-n2cc(CO)nn2)nc1.
What is the InChIKey of [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol?
The InChIKey is JSZSGRVVLUMKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-11-3-2-4-15(17)14(11)10-23-13-5-6-16(18-7-13)21-8-12(9-22)19-20-21/h2-8,22H,9-10H2,1H3.
What are the key properties of [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol?
[1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol has a molecular weight of 330.78 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-chloro-6-methylphenyl)methoxy]-2-pyridinyl]triazol-4-yl]methanol is sourced from PubChem (CID 170609059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).