(4-aminophenyl)-(1-methyltriazol-4-yl)methanone

C10H10N4O — CID 130602661

IUPAC(4-aminophenyl)-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)c2ccc(N)cc2)nn1
InChIInChI=1S/C10H10N4O/c1-14-6-9(12-13-14)10(15)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3
InChIKeyMWFWBNADZFLJPQ-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.63
Rot. Bonds2

About (4-aminophenyl)-(1-methyltriazol-4-yl)methanone

(4-aminophenyl)-(1-methyltriazol-4-yl)methanone (PubChem CID 130602661) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is (4-aminophenyl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(1-methyltriazol-4-yl)methanone
PubChem CID130602661
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name(4-aminophenyl)-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)c2ccc(N)cc2)nn1
InChIInChI=1S/C10H10N4O/c1-14-6-9(12-13-14)10(15)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3
InChIKeyMWFWBNADZFLJPQ-UHFFFAOYSA-N
XLogP0.63
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(1-methyltriazol-4-yl)methanone 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-aminophenyl)-(1-methylimidazol-4-yl)methanone
CID 130508917
(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
CID 112735750
ethane;1-(1-methyltriazol-4-yl)ethanone
CID 142493960
[1-(2-aminoethyl)triazol-4-yl]-(4-chlorophenyl)methanone
CID 116583092
(4-aminophenyl)-phenylmethanone
CID 14346
N-[(3-aminophenyl)methyl]-1-methyltriazole-4-carboxamide
CID 110482133
2,2-difluoro-1-(1-methyltriazol-4-yl)propan-1-one
CID 130757123
4-aminobenzamide;methanol
CID 144801245
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1-methyltriazole-4-carboxamide
CID 90549917
(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 2776675
(6-methoxypyrimidin-4-yl)-(1-methyltriazol-4-yl)methanone
CID 164663087

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (4-aminophenyl)-(1-methyltriazol-4-yl)methanone (CID 130602661) is (4-aminophenyl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)c2ccc(N)cc2)nn1.
What is the InChIKey of (4-aminophenyl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is MWFWBNADZFLJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-6-9(12-13-14)10(15)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3.
What are the key properties of (4-aminophenyl)-(1-methyltriazol-4-yl)methanone?
(4-aminophenyl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 202.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130602661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).