[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine

C10H10N4 — CID 101201499

IUPAC[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(-n2cnnc2)cc1C
InChIInChI=1S/C10H10N4/c1-8-4-10(3-2-9(8)5-11)14-6-12-13-7-14/h2-7,11H,1H3/b11-5+
InChIKeyYUUKIALTIDVTJP-VZUCSPMQSA-N
MW186.22 g/mol
LogP1.57
Rot. Bonds2

About [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine

[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine (PubChem CID 101201499) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine.

Molecular Properties

Compound Name[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine
PubChem CID101201499
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(-n2cnnc2)cc1C
InChIInChI=1S/C10H10N4/c1-8-4-10(3-2-9(8)5-11)14-6-12-13-7-14/h2-7,11H,1H3/b11-5+
InChIKeyYUUKIALTIDVTJP-VZUCSPMQSA-N
XLogP1.57
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine 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-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 84661549
2-methyl-5-(1,2,4-triazol-4-yl)benzoic acid
CID 63652848
2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
3-methanimidoyl-4-methylaniline
CID 142987257
2-[[2-methyl-5-(1,2,4-triazol-4-yl)anilino]methylidene]propanedinitrile
CID 168542260
N-(difluoromethyl)-2-methanimidoyl-4-methylaniline
CID 176988772
(3-amino-4-methanimidoyl-2-methylphenyl)methanol
CID 166097156
2-[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]isoindole-1,3-dione
CID 168516879
3-chloro-6-methanimidoyl-2-methylaniline
CID 146551332
5-amino-4-methanimidoyl-2-methylphenol
CID 164586972
[2,3-dimethyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82506426
5-methanimidoyl-2-methoxy-4-methylaniline
CID 143227854

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine?
The IUPAC name of [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine (CID 101201499) is [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine.
What is the SMILES notation for [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine?
The canonical SMILES for [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine is [H]/N=C/c1ccc(-n2cnnc2)cc1C.
What is the InChIKey of [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine?
The InChIKey is YUUKIALTIDVTJP-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H10N4/c1-8-4-10(3-2-9(8)5-11)14-6-12-13-7-14/h2-7,11H,1H3/b11-5+.
What are the key properties of [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine?
[2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine has a molecular weight of 186.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(1,2,4-triazol-4-yl)phenyl]methanimine is sourced from PubChem (CID 101201499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).