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

C10H12N4 — CID 18726750

IUPAC5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1ccc(-c2nnc(C)n2C)cn1
InChIInChI=1S/C10H12N4/c1-7-4-5-9(6-11-7)10-13-12-8(2)14(10)3/h4-6H,1-3H3
InChIKeyJCLMWYKSGGABBR-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.49
Rot. Bonds1

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

5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine (PubChem CID 18726750) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
PubChem CID18726750
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1ccc(-c2nnc(C)n2C)cn1
InChIInChI=1S/C10H12N4/c1-7-4-5-9(6-11-7)10-13-12-8(2)14(10)3/h4-6H,1-3H3
InChIKeyJCLMWYKSGGABBR-UHFFFAOYSA-N
XLogP1.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
The IUPAC name of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine (CID 18726750) is 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine.
What is the SMILES notation for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
The canonical SMILES for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine is Cc1ccc(-c2nnc(C)n2C)cn1.
What is the InChIKey of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
The InChIKey is JCLMWYKSGGABBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-4-5-9(6-11-7)10-13-12-8(2)14(10)3/h4-6H,1-3H3.
What are the key properties of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine has a molecular weight of 188.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine is sourced from PubChem (CID 18726750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).