1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile

C9H7N5O — CID 137351282

IUPAC1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(CO)cn2)nn1
InChIInChI=1S/C9H7N5O/c10-3-8-5-14(13-12-8)9-2-1-7(6-15)4-11-9/h1-2,4-5,15H,6H2
InChIKeyORXNGJWRIXRKBE-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.03
Rot. Bonds2

About 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile

1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile (PubChem CID 137351282) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile
PubChem CID137351282
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(CO)cn2)nn1
InChIInChI=1S/C9H7N5O/c10-3-8-5-14(13-12-8)9-2-1-7(6-15)4-11-9/h1-2,4-5,15H,6H2
InChIKeyORXNGJWRIXRKBE-UHFFFAOYSA-N
XLogP0.03
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile?
The IUPAC name of 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile (CID 137351282) is 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile.
What is the SMILES notation for 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile?
The canonical SMILES for 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile is N#Cc1cn(-c2ccc(CO)cn2)nn1.
What is the InChIKey of 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile?
The InChIKey is ORXNGJWRIXRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-3-8-5-14(13-12-8)9-2-1-7(6-15)4-11-9/h1-2,4-5,15H,6H2.
What are the key properties of 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile?
1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-2-pyridinyl]triazole-4-carbonitrile is sourced from PubChem (CID 137351282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).