7-(3-methyl-1,2,4-triazol-1-yl)quinoline

C12H10N4 — CID 166607595

IUPAC7-(3-methyl-1,2,4-triazol-1-yl)quinoline
SMILESCc1ncn(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C12H10N4/c1-9-14-8-16(15-9)11-5-4-10-3-2-6-13-12(10)7-11/h2-8H,1H3
InChIKeyZHWHUWYSVTXOAU-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.12
Rot. Bonds1

About 7-(3-methyl-1,2,4-triazol-1-yl)quinoline

7-(3-methyl-1,2,4-triazol-1-yl)quinoline (PubChem CID 166607595) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 7-(3-methyl-1,2,4-triazol-1-yl)quinoline.

Molecular Properties

Compound Name7-(3-methyl-1,2,4-triazol-1-yl)quinoline
PubChem CID166607595
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name7-(3-methyl-1,2,4-triazol-1-yl)quinoline
SMILESCc1ncn(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C12H10N4/c1-9-14-8-16(15-9)11-5-4-10-3-2-6-13-12(10)7-11/h2-8H,1H3
InChIKeyZHWHUWYSVTXOAU-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-1,2,4-triazol-1-yl)quinoline?
The IUPAC name of 7-(3-methyl-1,2,4-triazol-1-yl)quinoline (CID 166607595) is 7-(3-methyl-1,2,4-triazol-1-yl)quinoline.
What is the SMILES notation for 7-(3-methyl-1,2,4-triazol-1-yl)quinoline?
The canonical SMILES for 7-(3-methyl-1,2,4-triazol-1-yl)quinoline is Cc1ncn(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-(3-methyl-1,2,4-triazol-1-yl)quinoline?
The InChIKey is ZHWHUWYSVTXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-14-8-16(15-9)11-5-4-10-3-2-6-13-12(10)7-11/h2-8H,1H3.
What are the key properties of 7-(3-methyl-1,2,4-triazol-1-yl)quinoline?
7-(3-methyl-1,2,4-triazol-1-yl)quinoline has a molecular weight of 210.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-1,2,4-triazol-1-yl)quinoline is sourced from PubChem (CID 166607595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).