[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol

C11H14N4O — CID 166375778

IUPAC[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol
SMILESCC(C)n1cc(-c2ccc(CO)cn2)nn1
InChIInChI=1S/C11H14N4O/c1-8(2)15-6-11(13-14-15)10-4-3-9(7-16)5-12-10/h3-6,8,16H,7H2,1-2H3
InChIKeyPCFOILLZYHKEPK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.41
Rot. Bonds3

About [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol

[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol (PubChem CID 166375778) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol
PubChem CID166375778
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol
SMILESCC(C)n1cc(-c2ccc(CO)cn2)nn1
InChIInChI=1S/C11H14N4O/c1-8(2)15-6-11(13-14-15)10-4-3-9(7-16)5-12-10/h3-6,8,16H,7H2,1-2H3
InChIKeyPCFOILLZYHKEPK-UHFFFAOYSA-N
XLogP1.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol?
The IUPAC name of [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol (CID 166375778) is [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol?
The canonical SMILES for [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol is CC(C)n1cc(-c2ccc(CO)cn2)nn1.
What is the InChIKey of [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol?
The InChIKey is PCFOILLZYHKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)15-6-11(13-14-15)10-4-3-9(7-16)5-12-10/h3-6,8,16H,7H2,1-2H3.
What are the key properties of [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol?
[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol has a molecular weight of 218.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 166375778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).