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

C9H8Cl2N4O — CID 91033193

IUPACN-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CN=NN1
InChIInChI=1S/C9H8Cl2N4O/c10-5-1-2-7(6(11)3-5)13-9(16)8-4-12-15-14-8/h1-3,8H,4H2,(H,12,14)(H,13,16)
InChIKeyQBPXOMGJOQJVOY-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.27
Rot. Bonds2

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

N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide (PubChem CID 91033193) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide
PubChem CID91033193
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC NameN-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CN=NN1
InChIInChI=1S/C9H8Cl2N4O/c10-5-1-2-7(6(11)3-5)13-9(16)8-4-12-15-14-8/h1-3,8H,4H2,(H,12,14)(H,13,16)
InChIKeyQBPXOMGJOQJVOY-UHFFFAOYSA-N
XLogP2.27
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,3R,4R)-2-N,3-N-bis(2,4-dichlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 124776024
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
N-(2,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43105847
(1R,2S,3R,4R)-3-[(2,4-dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98152603
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142439377
N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690499
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
2-N-(2,4-dichlorophenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130797
N-(2,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134297
(1S,3S,6S,7R,9S)-N-(2,4-dichlorophenyl)tricyclo[4.3.0.03,9]nonane-7-carboxamide
CID 100824173
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
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CID 109144629

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide (CID 91033193) is N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CN=NN1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide?
The InChIKey is QBPXOMGJOQJVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c10-5-1-2-7(6(11)3-5)13-9(16)8-4-12-15-14-8/h1-3,8H,4H2,(H,12,14)(H,13,16).
What are the key properties of N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide?
N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4,5-dihydro-1H-triazole-5-carboxamide is sourced from PubChem (CID 91033193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).