4-(1,2,4-triazol-1-yl)quinolin-2-amine

C11H9N5 — CID 170518666

IUPAC4-(1,2,4-triazol-1-yl)quinolin-2-amine
SMILESNc1cc(-n2cncn2)c2ccccc2n1
InChIInChI=1S/C11H9N5/c12-11-5-10(16-7-13-6-14-16)8-3-1-2-4-9(8)15-11/h1-7H,(H2,12,15)
InChIKeyAAIJNKGNJNTBPK-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 4-(1,2,4-triazol-1-yl)quinolin-2-amine

4-(1,2,4-triazol-1-yl)quinolin-2-amine (PubChem CID 170518666) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)quinolin-2-amine
PubChem CID170518666
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name4-(1,2,4-triazol-1-yl)quinolin-2-amine
SMILESNc1cc(-n2cncn2)c2ccccc2n1
InChIInChI=1S/C11H9N5/c12-11-5-10(16-7-13-6-14-16)8-3-1-2-4-9(8)15-11/h1-7H,(H2,12,15)
InChIKeyAAIJNKGNJNTBPK-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-triazol-1-yl)quinoline-2-carboxylic acid
CID 63374242
2-(1,2,4-triazol-1-yl)quinoline-4-carbothioamide
CID 63886123
4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
5-(1,2,4-triazol-1-yl)quinolin-8-amine
CID 43449577
3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
CID 141078933
2-bromo-6-(1,2,4-triazol-1-yl)aniline
CID 84701038
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
6-bromo-4-(1,2,4-triazol-1-yl)quinoline
CID 121406014
3-iodo-4-(1,2,4-triazol-1-yl)aniline
CID 66094610
2-methyl-4-(1,2,4-triazol-1-yl)-7-(trifluoromethyl)quinoline
CID 14837837
2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291049

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)quinolin-2-amine?
The IUPAC name of 4-(1,2,4-triazol-1-yl)quinolin-2-amine (CID 170518666) is 4-(1,2,4-triazol-1-yl)quinolin-2-amine.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)quinolin-2-amine?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)quinolin-2-amine is Nc1cc(-n2cncn2)c2ccccc2n1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)quinolin-2-amine?
The InChIKey is AAIJNKGNJNTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-5-10(16-7-13-6-14-16)8-3-1-2-4-9(8)15-11/h1-7H,(H2,12,15).
What are the key properties of 4-(1,2,4-triazol-1-yl)quinolin-2-amine?
4-(1,2,4-triazol-1-yl)quinolin-2-amine has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)quinolin-2-amine is sourced from PubChem (CID 170518666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).