N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide

C13H17N5O — CID 56785425

IUPACN-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C13H17N5O/c1-9(2)18(3)11-6-4-5-10(7-11)15-13(19)12-8-14-17-16-12/h4-9H,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyRCPCSSIANWBAPN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.90
Rot. Bonds4

About N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide

N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide (PubChem CID 56785425) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
PubChem CID56785425
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C13H17N5O/c1-9(2)18(3)11-6-4-5-10(7-11)15-13(19)12-8-14-17-16-12/h4-9H,1-3H3,(H,15,19)(H,14,16,17)
InChIKeyRCPCSSIANWBAPN-UHFFFAOYSA-N
XLogP1.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide 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

N-(3-methylsulfonylphenyl)-2H-triazole-4-carboxamide
CID 47338227
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
N-[3-(sulfamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 113226196
N-[3-(aminomethyl)phenyl]-2H-triazole-4-carboxamide
CID 63283245
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 120646629
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484314
N-[3-[[(S)-benzylsulfinyl]methyl]phenyl]-2H-triazole-4-carboxamide
CID 95770554
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-triazole-4-carboxamide
CID 164648639
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide (CID 56785425) is N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide is CC(C)N(C)c1cccc(NC(=O)c2cn[nH]n2)c1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is RCPCSSIANWBAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9(2)18(3)11-6-4-5-10(7-11)15-13(19)12-8-14-17-16-12/h4-9H,1-3H3,(H,15,19)(H,14,16,17).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide?
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56785425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).