3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide

C10H11N5 — CID 107110466

IUPAC3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1-n1cncn1
InChIInChI=1S/C10H11N5/c1-7-3-2-4-8(10(11)12)9(7)15-6-13-5-14-15/h2-6H,1H3,(H3,11,12)
InChIKeyCBIFKPZCKKIPJL-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.86
Rot. Bonds2

About 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide

3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide (PubChem CID 107110466) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
PubChem CID107110466
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1-n1cncn1
InChIInChI=1S/C10H11N5/c1-7-3-2-4-8(10(11)12)9(7)15-6-13-5-14-15/h2-6H,1H3,(H3,11,12)
InChIKeyCBIFKPZCKKIPJL-UHFFFAOYSA-N
XLogP0.86
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide 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

2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
4-(1,2,4-triazol-1-yl)quinoline-3-carboximidamide
CID 43669845
2-(diethylamino)-3-methylbenzenecarboximidamide
CID 107109942
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107110287
2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide
CID 107118050
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbenzenecarboximidamide
CID 107109980
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60873112
biphenylene-1,8-dicarboximidamide
CID 71696896
3-methyl-2-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 107111032

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide?
The IUPAC name of 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide (CID 107110466) is 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1-n1cncn1.
What is the InChIKey of 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide?
The InChIKey is CBIFKPZCKKIPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-7-3-2-4-8(10(11)12)9(7)15-6-13-5-14-15/h2-6H,1H3,(H3,11,12).
What are the key properties of 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide?
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide has a molecular weight of 201.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107110466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).