4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol

C12H16N4O — CID 71552101

IUPAC4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol
SMILESCc1cccc(-n2cc(CCCCO)nn2)n1
InChIInChI=1S/C12H16N4O/c1-10-5-4-7-12(13-10)16-9-11(14-15-16)6-2-3-8-17/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyNURUHDILVLMHRL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.29
Rot. Bonds5

About 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol

4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol (PubChem CID 71552101) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol
PubChem CID71552101
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol
SMILESCc1cccc(-n2cc(CCCCO)nn2)n1
InChIInChI=1S/C12H16N4O/c1-10-5-4-7-12(13-10)16-9-11(14-15-16)6-2-3-8-17/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyNURUHDILVLMHRL-UHFFFAOYSA-N
XLogP1.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
CID 59526244
4-(6-methyl-2-pyridinyl)butan-1-ol
CID 20689309
2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
CID 71552175
3-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]propan-1-ol
CID 113374449
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
2-[4-(4-octyltriazol-1-yl)phenyl]ethanol
CID 72736019
2-[1-(6-methyl-2-pyridinyl)azetidin-3-yl]ethanol
CID 67294165
2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
CID 107627317
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
4-(1-quinolin-2-yltriazol-4-yl)butanoic acid
CID 102334836
3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
2-[1-(3,4-dimethylphenyl)triazol-4-yl]ethanol
CID 62399390

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol?
The IUPAC name of 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol (CID 71552101) is 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol.
What is the SMILES notation for 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol?
The canonical SMILES for 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol is Cc1cccc(-n2cc(CCCCO)nn2)n1.
What is the InChIKey of 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol?
The InChIKey is NURUHDILVLMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-10-5-4-7-12(13-10)16-9-11(14-15-16)6-2-3-8-17/h4-5,7,9,17H,2-3,6,8H2,1H3.
What are the key properties of 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol?
4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methyl-2-pyridinyl)triazol-4-yl]butan-1-ol is sourced from PubChem (CID 71552101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).