4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide

C12H10N6 — CID 43669845

IUPAC4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1-n1cncn1
InChIInChI=1S/C12H10N6/c13-12(14)9-5-16-10-4-2-1-3-8(10)11(9)18-7-15-6-17-18/h1-7H,(H3,13,14)
InChIKeyHUXHTLXJAHIIDC-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.10
Rot. Bonds2

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

4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide (PubChem CID 43669845) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide
PubChem CID43669845
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1-n1cncn1
InChIInChI=1S/C12H10N6/c13-12(14)9-5-16-10-4-2-1-3-8(10)11(9)18-7-15-6-17-18/h1-7H,(H3,13,14)
InChIKeyHUXHTLXJAHIIDC-UHFFFAOYSA-N
XLogP1.10
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559
4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide
CID 61346907
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
CID 104958895
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
CID 43669800
4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 43669871
4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
CID 116801498
4-[2-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-(4-bromophenyl)sulfanylquinoline-3-carboximidamide
CID 43669965
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]quinoline-3-carboximidamide
CID 107480189
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
The IUPAC name of 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide (CID 43669845) is 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1-n1cncn1.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
The InChIKey is HUXHTLXJAHIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-12(14)9-5-16-10-4-2-1-3-8(10)11(9)18-7-15-6-17-18/h1-7H,(H3,13,14).
What are the key properties of 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide has a molecular weight of 238.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide is sourced from PubChem (CID 43669845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).