4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile

C14H10N6 — CID 22032892

IUPAC4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cc(-c2n[nH]c(-c3ccnc(C#N)c3)n2)ccn1
InChIInChI=1S/C14H10N6/c1-9-6-10(2-4-16-9)13-18-14(20-19-13)11-3-5-17-12(7-11)8-15/h2-7H,1H3,(H,18,19,20)
InChIKeyICBXUMKVORWQHL-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.11
Rot. Bonds2

About 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile

4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile (PubChem CID 22032892) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile
PubChem CID22032892
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile
SMILESCc1cc(-c2n[nH]c(-c3ccnc(C#N)c3)n2)ccn1
InChIInChI=1S/C14H10N6/c1-9-6-10(2-4-16-9)13-18-14(20-19-13)11-3-5-17-12(7-11)8-15/h2-7H,1H3,(H,18,19,20)
InChIKeyICBXUMKVORWQHL-UHFFFAOYSA-N
XLogP2.11
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile (CID 22032892) is 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile is Cc1cc(-c2n[nH]c(-c3ccnc(C#N)c3)n2)ccn1.
What is the InChIKey of 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is ICBXUMKVORWQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c1-9-6-10(2-4-16-9)13-18-14(20-19-13)11-3-5-17-12(7-11)8-15/h2-7H,1H3,(H,18,19,20).
What are the key properties of 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile?
4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 262.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 22032892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).