6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile

C11H11N5O — CID 134523720

IUPAC6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc(-n2nc(C)c(CO)n2)ncc1C#N
InChIInChI=1S/C11H11N5O/c1-7-3-11(13-5-9(7)4-12)16-14-8(2)10(6-17)15-16/h3,5,17H,6H2,1-2H3
InChIKeyPXVRCRRULOQNEF-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.64
Rot. Bonds2

About 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile

6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile (PubChem CID 134523720) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
PubChem CID134523720
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
SMILESCc1cc(-n2nc(C)c(CO)n2)ncc1C#N
InChIInChI=1S/C11H11N5O/c1-7-3-11(13-5-9(7)4-12)16-14-8(2)10(6-17)15-16/h3,5,17H,6H2,1-2H3
InChIKeyPXVRCRRULOQNEF-UHFFFAOYSA-N
XLogP0.64
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
CID 134523645
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 134531443
4-methyl-6-[4-(piperazin-1-ylmethyl)triazol-2-yl]pyridine-3-carbonitrile
CID 156544456
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 166906107
methyl 3-(5-cyano-4-methyl-2-pyridinyl)-2-oxo-1H-imidazole-5-carboxylate
CID 134523808
6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 134523949
6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile
CID 146481730
1-(hydroxymethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 155481720
6-ethoxy-4-methylpyridine-3-carbonitrile
CID 84618208
6-(2,2-dimethylbutyl)-4-methylpyridine-3-carbonitrile
CID 134170715
CID 175289623
CID 175289623
6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile (CID 134523720) is 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile is Cc1cc(-n2nc(C)c(CO)n2)ncc1C#N.
What is the InChIKey of 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile?
The InChIKey is PXVRCRRULOQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-7-3-11(13-5-9(7)4-12)16-14-8(2)10(6-17)15-16/h3,5,17H,6H2,1-2H3.
What are the key properties of 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile?
6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 134523720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).