4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide

C14H14N6 — CID 61346907

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1-n1nc(C)nc1C
InChIInChI=1S/C14H14N6/c1-8-18-9(2)20(19-8)13-10-5-3-4-6-12(10)17-7-11(13)14(15)16/h3-7H,1-2H3,(H3,15,16)
InChIKeyYDCNZRBRNLALDM-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.72
Rot. Bonds2

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide

4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide (PubChem CID 61346907) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide
PubChem CID61346907
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1-n1nc(C)nc1C
InChIInChI=1S/C14H14N6/c1-8-18-9(2)20(19-8)13-10-5-3-4-6-12(10)17-7-11(13)14(15)16/h3-7H,1-2H3,(H3,15,16)
InChIKeyYDCNZRBRNLALDM-UHFFFAOYSA-N
XLogP1.72
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.72
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-(3,5-dimethyl-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)quinoline-3-carboximidamide
CID 43669845
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-(diethylamino)ethoxy]quinoline-3-carboximidamide
CID 61104595
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
CID 43669871
4-(1-ethylpyrazol-4-yl)oxyquinoline-3-carboximidamide
CID 116801498
4-[3-(dimethylamino)propyl-methylamino]quinoline-3-carboximidamide
CID 63694201
4-[methyl(pentyl)amino]quinoline-3-carboximidamide
CID 43669819
4-(4-bromophenyl)sulfanylquinoline-3-carboximidamide
CID 43669965
2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
CID 63884159
3-bromo-4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzenecarboximidamide
CID 82799867

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide (CID 61346907) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1-n1nc(C)nc1C.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
The InChIKey is YDCNZRBRNLALDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-8-18-9(2)20(19-8)13-10-5-3-4-6-12(10)17-7-11(13)14(15)16/h3-7H,1-2H3,(H3,15,16).
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide has a molecular weight of 266.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)quinoline-3-carboximidamide is sourced from PubChem (CID 61346907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).