5-(1,2,4-triazol-1-yl)quinolin-8-amine

C11H9N5 — CID 43449577

IUPAC5-(1,2,4-triazol-1-yl)quinolin-8-amine
SMILESNc1ccc(-n2cncn2)c2cccnc12
InChIInChI=1S/C11H9N5/c12-9-3-4-10(16-7-13-6-15-16)8-2-1-5-14-11(8)9/h1-7H,12H2
InChIKeyDZJIUKGGDHBUBX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 5-(1,2,4-triazol-1-yl)quinolin-8-amine

5-(1,2,4-triazol-1-yl)quinolin-8-amine (PubChem CID 43449577) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-yl)quinolin-8-amine.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-yl)quinolin-8-amine
PubChem CID43449577
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name5-(1,2,4-triazol-1-yl)quinolin-8-amine
SMILESNc1ccc(-n2cncn2)c2cccnc12
InChIInChI=1S/C11H9N5/c12-9-3-4-10(16-7-13-6-15-16)8-2-1-5-14-11(8)9/h1-7H,12H2
InChIKeyDZJIUKGGDHBUBX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-nitro-8-(1,2,4-triazol-1-yl)quinoline
CID 63812335
5-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
CID 62204659
5-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-8-amine
CID 61345299
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-8-amine
CID 64575770
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
CID 43581386
2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
CID 104826612
4-(1,2,4-triazol-1-yl)quinolin-2-amine
CID 170518666
2-(8-aminoquinolin-5-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104826611
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725
2-(1,2,4-triazol-1-yl)-1,10-phenanthroline
CID 91056975
4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-yl)quinolin-8-amine?
The IUPAC name of 5-(1,2,4-triazol-1-yl)quinolin-8-amine (CID 43449577) is 5-(1,2,4-triazol-1-yl)quinolin-8-amine.
What is the SMILES notation for 5-(1,2,4-triazol-1-yl)quinolin-8-amine?
The canonical SMILES for 5-(1,2,4-triazol-1-yl)quinolin-8-amine is Nc1ccc(-n2cncn2)c2cccnc12.
What is the InChIKey of 5-(1,2,4-triazol-1-yl)quinolin-8-amine?
The InChIKey is DZJIUKGGDHBUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-9-3-4-10(16-7-13-6-15-16)8-2-1-5-14-11(8)9/h1-7H,12H2.
What are the key properties of 5-(1,2,4-triazol-1-yl)quinolin-8-amine?
5-(1,2,4-triazol-1-yl)quinolin-8-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 5-(1,2,4-triazol-1-yl)quinolin-8-amine is sourced from PubChem (CID 43449577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).