5-(4-methylanilino)-2H-triazole-4-carboxamide

C10H11N5O — CID 45496899

IUPAC5-(4-methylanilino)-2H-triazole-4-carboxamide
SMILESCc1ccc(Nc2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C10H11N5O/c1-6-2-4-7(5-3-6)12-10-8(9(11)16)13-15-14-10/h2-5H,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyPEMDDKSLUKGTCE-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.96
Rot. Bonds3

About 5-(4-methylanilino)-2H-triazole-4-carboxamide

5-(4-methylanilino)-2H-triazole-4-carboxamide (PubChem CID 45496899) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(4-methylanilino)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylanilino)-2H-triazole-4-carboxamide
PubChem CID45496899
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-(4-methylanilino)-2H-triazole-4-carboxamide
SMILESCc1ccc(Nc2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C10H11N5O/c1-6-2-4-7(5-3-6)12-10-8(9(11)16)13-15-14-10/h2-5H,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyPEMDDKSLUKGTCE-UHFFFAOYSA-N
XLogP0.96
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-[(5-carbamoyl-2H-triazol-4-yl)amino]-5-methylphenyl]carbamate
CID 10852033
ethyl 5-[4-[4-(trifluoromethyl)phenyl]anilino]-2H-triazole-4-carboxylate
CID 152940282
5-[4-(4-chlorophenyl)anilino]-2H-triazole-4-carboxylic acid
CID 155250361
6-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 141334617
N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 46299757
6-(4-methylanilino)-2-oxo-1H-pyrimidine-5-carboxamide
CID 143890535
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
CID 175054353
CID 175054353
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
CID 50928973
4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 20997773
5-[3-bromo-5-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169404022

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-methylanilino)-2H-triazole-4-carboxamide (CID 45496899) is 5-(4-methylanilino)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylanilino)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-methylanilino)-2H-triazole-4-carboxamide is Cc1ccc(Nc2n[nH]nc2C(N)=O)cc1.
What is the InChIKey of 5-(4-methylanilino)-2H-triazole-4-carboxamide?
The InChIKey is PEMDDKSLUKGTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-6-2-4-7(5-3-6)12-10-8(9(11)16)13-15-14-10/h2-5H,1H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 5-(4-methylanilino)-2H-triazole-4-carboxamide?
5-(4-methylanilino)-2H-triazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-2H-triazole-4-carboxamide is sourced from PubChem (CID 45496899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).