2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide

C10H8Cl2N4O — CID 95909871

IUPAC2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)nc1C(N)=O
InChIInChI=1S/C10H8Cl2N4O/c1-5-9(10(13)17)15-16(14-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,17)
InChIKeyNDSMNQBLAVDSLR-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.98
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide

2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 95909871) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID95909871
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)nc1C(N)=O
InChIInChI=1S/C10H8Cl2N4O/c1-5-9(10(13)17)15-16(14-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,17)
InChIKeyNDSMNQBLAVDSLR-UHFFFAOYSA-N
XLogP1.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxylate
CID 95909870
prop-2-ynyl 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxylate
CID 95909867
5-methyl-2-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174597828
2-(3-chlorophenyl)-N-(diaminomethylidene)-5-methyltriazole-4-carboxamide
CID 22267650
N-(3,4-dichlorophenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 26085730
5-methyl-2-(4-methylphenyl)triazole-4-carboxylic acid
CID 1476841
5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid
CID 22268030
ethyl 2-(4-chlorophenyl)-5-methyltriazole-4-carboxylate
CID 50849373
1-(3-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82198923
1-(3,4-dichlorophenyl)-2-methyl-5-nitroimidazole-4-carboxamide
CID 21413416
2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
CID 141379249
2-(4-fluorophenyl)-5-methyltriazole-4-carbonyl chloride
CID 50849352

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide (CID 95909871) is 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide is Cc1nn(-c2ccc(Cl)c(Cl)c2)nc1C(N)=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is NDSMNQBLAVDSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-5-9(10(13)17)15-16(14-5)6-2-3-7(11)8(12)4-6/h2-4H,1H3,(H2,13,17).
What are the key properties of 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide?
2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 95909871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).