4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline

C12H10N4 — CID 50973595

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESCc1nc(-c2ccnc3ccccc23)n[nH]1
InChIInChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-6-7-13-11-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15,16)
InChIKeyVBJAMIUIUPPGLI-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

About 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline

4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline (PubChem CID 50973595) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
PubChem CID50973595
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESCc1nc(-c2ccnc3ccccc23)n[nH]1
InChIInChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-6-7-13-11-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15,16)
InChIKeyVBJAMIUIUPPGLI-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline (CID 50973595) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline is Cc1nc(-c2ccnc3ccccc23)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
The InChIKey is VBJAMIUIUPPGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-6-7-13-11-5-3-2-4-9(10)11/h2-7H,1H3,(H,14,15,16).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline has a molecular weight of 210.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 50973595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).