5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine

C13H11N5 — CID 121496975

IUPAC5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCc1cnc(-n2cnnc2)c(-c2cccnc2)c1
InChIInChI=1S/C13H11N5/c1-10-5-12(11-3-2-4-14-7-11)13(15-6-10)18-8-16-17-9-18/h2-9H,1H3
InChIKeyKYPDIAUBRFIZCI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.03
Rot. Bonds2

About 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine

5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 121496975) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID121496975
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine
SMILESCc1cnc(-n2cnnc2)c(-c2cccnc2)c1
InChIInChI=1S/C13H11N5/c1-10-5-12(11-3-2-4-14-7-11)13(15-6-10)18-8-16-17-9-18/h2-9H,1H3
InChIKeyKYPDIAUBRFIZCI-UHFFFAOYSA-N
XLogP2.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
n3-[4-(1-Methyl-piperidin-4-yl)-phenyl]-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56593836
3-N-[3-(1-methylpiperidin-4-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593837

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine (CID 121496975) is 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine is Cc1cnc(-n2cnnc2)c(-c2cccnc2)c1.
What is the InChIKey of 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is KYPDIAUBRFIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c1-10-5-12(11-3-2-4-14-7-11)13(15-6-10)18-8-16-17-9-18/h2-9H,1H3.
What are the key properties of 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine?
5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 237.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyridin-3-yl-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 121496975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).