6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline

C12H10N4 — CID 62875043

IUPAC6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESCc1nc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-4-5-11-9(7-10)3-2-6-13-11/h2-7H,1H3,(H,14,15,16)
InChIKeyPHNZSRRAPLYSCT-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

About 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline

6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline (PubChem CID 62875043) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
PubChem CID62875043
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESCc1nc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-4-5-11-9(7-10)3-2-6-13-11/h2-7H,1H3,(H,14,15,16)
InChIKeyPHNZSRRAPLYSCT-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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Related Compounds

6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
6-(3-methylphenyl)quinoline
CID 4185278
5-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62874875
6-(1H-azirin-2-yl)quinoline
CID 146540612
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
4-propan-2-yl-3-quinolin-6-yl-1H-1,2,4-triazole-5-thione
CID 115390219
6-methylquinoline
CID 7059
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
CID 66304285

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline (CID 62875043) is 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline is Cc1nc(-c2ccc3ncccc3c2)n[nH]1.
What is the InChIKey of 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
The InChIKey is PHNZSRRAPLYSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-14-12(16-15-8)10-4-5-11-9(7-10)3-2-6-13-11/h2-7H,1H3,(H,14,15,16).
What are the key properties of 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline?
6-(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 6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 62875043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).