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

C12H18N4 — CID 171527079

IUPAC5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane
SMILESCCC.Cc1ccc(-c2nncn2C)nc1
InChIInChI=1S/C9H10N4.C3H8/c1-7-3-4-8(10-5-7)9-12-11-6-13(9)2;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyNNPRGOQGZHICRM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.60
Rot. Bonds1

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

5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane (PubChem CID 171527079) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane
PubChem CID171527079
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane
SMILESCCC.Cc1ccc(-c2nncn2C)nc1
InChIInChI=1S/C9H10N4.C3H8/c1-7-3-4-8(10-5-7)9-12-11-6-13(9)2;1-3-2/h3-6H,1-2H3;3H2,1-2H3
InChIKeyNNPRGOQGZHICRM-UHFFFAOYSA-N
XLogP2.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane?
The IUPAC name of 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane (CID 171527079) is 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane.
What is the SMILES notation for 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane?
The canonical SMILES for 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane is CCC.Cc1ccc(-c2nncn2C)nc1.
What is the InChIKey of 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane?
The InChIKey is NNPRGOQGZHICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C3H8/c1-7-3-4-8(10-5-7)9-12-11-6-13(9)2;1-3-2/h3-6H,1-2H3;3H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane?
5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane has a molecular weight of 218.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-1,2,4-triazol-3-yl)pyridine;propane is sourced from PubChem (CID 171527079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).