N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide

C9H6Cl2N4O — CID 779758

IUPACN-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ncn[nH]1
InChIInChI=1S/C9H6Cl2N4O/c10-6-2-1-5(3-7(6)11)14-9(16)8-12-4-13-15-8/h1-4H,(H,14,16)(H,12,13,15)
InChIKeyNKNCZEBRSSZIJZ-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.36
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide

N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 779758) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID779758
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC NameN-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ncn[nH]1
InChIInChI=1S/C9H6Cl2N4O/c10-6-2-1-5(3-7(6)11)14-9(16)8-12-4-13-15-8/h1-4H,(H,14,16)(H,12,13,15)
InChIKeyNKNCZEBRSSZIJZ-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromonaphthalen-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 81259904
N-(4-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 743922
N-(3-acetylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 741077
N-(4-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779767
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 709591
3,5-dichloro-4-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 82830260
N-(1,2,3,4-tetrahydroquinolin-7-yl)-1H-1,2,4-triazole-5-carboxamide
CID 63928514
N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 20597602
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788981
1-(3,4-dichlorophenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529659
N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 145039639
5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652944

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide (CID 779758) is N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ncn[nH]1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is NKNCZEBRSSZIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-6-2-1-5(3-7(6)11)14-9(16)8-12-4-13-15-8/h1-4H,(H,14,16)(H,12,13,15).
What are the key properties of N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 257.08 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 779758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).