5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide

C16H15N5O — CID 169402424

IUPAC5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
SMILESCN(c1ccccc1)c1ccc(-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C16H15N5O/c1-21(12-5-3-2-4-6-12)13-9-7-11(8-10-13)14-15(16(17)22)19-20-18-14/h2-10H,1H3,(H2,17,22)(H,18,19,20)
InChIKeyKGIDUEAMAPQGOU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.34
Rot. Bonds4

About 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide

5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402424) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
PubChem CID169402424
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
SMILESCN(c1ccccc1)c1ccc(-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C16H15N5O/c1-21(12-5-3-2-4-6-12)13-9-7-11(8-10-13)14-15(16(17)22)19-20-18-14/h2-10H,1H3,(H2,17,22)(H,18,19,20)
InChIKeyKGIDUEAMAPQGOU-UHFFFAOYSA-N
XLogP2.34
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
5-(4-methoxy-3-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402081
5-[3-[(dimethylamino)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169403261
(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
CID 155934303
5-(4-octoxyphenyl)-2H-triazole-4-carboxamide
CID 169402171
5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
CID 169403301
5-(3-bromo-4-methylphenyl)-2H-triazole-4-carboxamide
CID 169402148
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
methyl 5-(5-carbamoyl-2H-triazol-4-yl)-2-hydroxybenzoate
CID 169402146
5-[4-(4-nitrophenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404270
5-[3-(aminomethyl)-4-methoxyphenyl]-2H-triazole-4-carboxamide
CID 169404272

Frequently Asked Questions

What is the IUPAC name of 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide (CID 169402424) is 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide is CN(c1ccccc1)c1ccc(-c2n[nH]nc2C(N)=O)cc1.
What is the InChIKey of 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is KGIDUEAMAPQGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21(12-5-3-2-4-6-12)13-9-7-11(8-10-13)14-15(16(17)22)19-20-18-14/h2-10H,1H3,(H2,17,22)(H,18,19,20).
What are the key properties of 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide?
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).