[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol

C12H16N4O — CID 82208683

IUPAC[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
SMILESCC(C)Cn1nnc(CO)c1-c1cccnc1
InChIInChI=1S/C12H16N4O/c1-9(2)7-16-12(11(8-17)14-15-16)10-4-3-5-13-6-10/h3-6,9,17H,7-8H2,1-2H3
InChIKeyFDBHGPQDCRZWGE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds4

About [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol

[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol (PubChem CID 82208683) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
PubChem CID82208683
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
SMILESCC(C)Cn1nnc(CO)c1-c1cccnc1
InChIInChI=1S/C12H16N4O/c1-9(2)7-16-12(11(8-17)14-15-16)10-4-3-5-13-6-10/h3-6,9,17H,7-8H2,1-2H3
InChIKeyFDBHGPQDCRZWGE-UHFFFAOYSA-N
XLogP1.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
[5-(4-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 94944799
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82211803
(1-naphthalen-1-yl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82199759
ethyl 1-(3-methylbutyl)-5-pyridin-3-yltriazole-4-carboxylate
CID 102642365
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208326
1-[1-(2-methylpropyl)-5-phenyltriazol-4-yl]ethanone
CID 82208841
[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211157
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol (CID 82208683) is [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol is CC(C)Cn1nnc(CO)c1-c1cccnc1.
What is the InChIKey of [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol?
The InChIKey is FDBHGPQDCRZWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)7-16-12(11(8-17)14-15-16)10-4-3-5-13-6-10/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol?
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol has a molecular weight of 232.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol is sourced from PubChem (CID 82208683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).