5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide

C10H9Cl2N5O — CID 70492189

IUPAC5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2N5O/c11-6-2-1-5(3-7(6)12)4-14-10(18)8-9(13)16-17-15-8/h1-3H,4H2,(H,14,18)(H3,13,15,16,17)
InChIKeyYHMYVMDMWBCRAT-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.62
Rot. Bonds3

About 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide

5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 70492189) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
PubChem CID70492189
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2N5O/c11-6-2-1-5(3-7(6)12)4-14-10(18)8-9(13)16-17-15-8/h1-3H,4H2,(H,14,18)(H3,13,15,16,17)
InChIKeyYHMYVMDMWBCRAT-UHFFFAOYSA-N
XLogP1.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-amino-2H-triazole-4-carbonyl)amino]methyl]benzoic acid
CID 110484927
3-amino-N-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-1H-indazole-5-carboxamide
CID 70998332
N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 141124421
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
3-amino-N-[(4-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64523629

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide (CID 70492189) is 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is YHMYVMDMWBCRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c11-6-2-1-5(3-7(6)12)4-14-10(18)8-9(13)16-17-15-8/h1-3H,4H2,(H,14,18)(H3,13,15,16,17).
What are the key properties of 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide?
5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 70492189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).