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

C12H10N4 — CID 69385619

IUPAC2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline
SMILESCc1nc2ccccc2cc1-c1ncn[nH]1
InChIInChI=1S/C12H10N4/c1-8-10(12-13-7-14-16-12)6-9-4-2-3-5-11(9)15-8/h2-7H,1H3,(H,13,14,16)
InChIKeyAQISOQXEAMXUOL-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

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

2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline (PubChem CID 69385619) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline.

Molecular Properties

Compound Name2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline
PubChem CID69385619
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline
SMILESCc1nc2ccccc2cc1-c1ncn[nH]1
InChIInChI=1S/C12H10N4/c1-8-10(12-13-7-14-16-12)6-9-4-2-3-5-11(9)15-8/h2-7H,1H3,(H,13,14,16)
InChIKeyAQISOQXEAMXUOL-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 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline?
The IUPAC name of 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline (CID 69385619) is 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline.
What is the SMILES notation for 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline?
The canonical SMILES for 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline is Cc1nc2ccccc2cc1-c1ncn[nH]1.
What is the InChIKey of 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline?
The InChIKey is AQISOQXEAMXUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-10(12-13-7-14-16-12)6-9-4-2-3-5-11(9)15-8/h2-7H,1H3,(H,13,14,16).
What are the key properties of 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline?
2-methyl-3-(1H-1,2,4-triazol-5-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 2-methyl-3-(1H-1,2,4-triazol-5-yl)quinoline is sourced from PubChem (CID 69385619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).