4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

C15H12N6O — CID 23117302

IUPAC4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
SMILESCOCn1nc(-c2ccncc2)nc1-c1ccnc(C#N)c1
InChIInChI=1S/C15H12N6O/c1-22-10-21-15(12-4-7-18-13(8-12)9-16)19-14(20-21)11-2-5-17-6-3-11/h2-8H,10H2,1H3
InChIKeyHBPTUBUQKVWHQD-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.88
Rot. Bonds4

About 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile

4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile (PubChem CID 23117302) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
PubChem CID23117302
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile
SMILESCOCn1nc(-c2ccncc2)nc1-c1ccnc(C#N)c1
InChIInChI=1S/C15H12N6O/c1-22-10-21-15(12-4-7-18-13(8-12)9-16)19-14(20-21)11-2-5-17-6-3-11/h2-8H,10H2,1H3
InChIKeyHBPTUBUQKVWHQD-UHFFFAOYSA-N
XLogP1.88
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile (CID 23117302) is 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile is COCn1nc(-c2ccncc2)nc1-c1ccnc(C#N)c1.
What is the InChIKey of 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
The InChIKey is HBPTUBUQKVWHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c1-22-10-21-15(12-4-7-18-13(8-12)9-16)19-14(20-21)11-2-5-17-6-3-11/h2-8H,10H2,1H3.
What are the key properties of 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile?
4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile has a molecular weight of 292.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 23117302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).