4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine

C11H12N4 — CID 106753267

IUPAC4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1cc(-c2n[nH]c(C3CC3)n2)ccn1
InChIInChI=1S/C11H12N4/c1-7-6-9(4-5-12-7)11-13-10(14-15-11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyDDOUXJHQLXCHOR-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.05
Rot. Bonds2

About 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine

4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine (PubChem CID 106753267) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine.

Molecular Properties

Compound Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
PubChem CID106753267
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1cc(-c2n[nH]c(C3CC3)n2)ccn1
InChIInChI=1S/C11H12N4/c1-7-6-9(4-5-12-7)11-13-10(14-15-11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14,15)
InChIKeyDDOUXJHQLXCHOR-UHFFFAOYSA-N
XLogP2.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
CID 67028379
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
3-(3-tert-butylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 169291660
2-methyl-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 121499050
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 61339281
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
2-bromo-5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814437
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
CID 61337782
5-cyclohexyl-3-(4-fluoro-3-methylphenyl)-1H-1,2,4-triazole
CID 63213792
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 155951530
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methyl-1,3-thiazole
CID 65198619

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
The IUPAC name of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine (CID 106753267) is 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine.
What is the SMILES notation for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
The canonical SMILES for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine is Cc1cc(-c2n[nH]c(C3CC3)n2)ccn1.
What is the InChIKey of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
The InChIKey is DDOUXJHQLXCHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-7-6-9(4-5-12-7)11-13-10(14-15-11)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine?
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine has a molecular weight of 200.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine is sourced from PubChem (CID 106753267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).