3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide

C9H7Cl2N5O2 — CID 107680298

IUPAC3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1
InChIInChI=1S/C9H7Cl2N5O2/c10-4-1-3(2-5(11)6(4)17)13-8(18)7-14-9(12)16-15-7/h1-2,17H,(H,13,18)(H3,12,14,15,16)
InChIKeyFQYOKNQXNDXBSW-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.65
Rot. Bonds2

About 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 107680298) has the molecular formula C9H7Cl2N5O2 and a molecular weight of 288.09 g/mol. Its IUPAC name is 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID107680298
Molecular FormulaC9H7Cl2N5O2
Molecular Weight288.09 g/mol
Exact Mass287.00
IUPAC Name3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1
InChIInChI=1S/C9H7Cl2N5O2/c10-4-1-3(2-5(11)6(4)17)13-8(18)7-14-9(12)16-15-7/h1-2,17H,(H,13,18)(H3,12,14,15,16)
InChIKeyFQYOKNQXNDXBSW-UHFFFAOYSA-N
XLogP1.65
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806476
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794200
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
CID 62808434
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
3-amino-N-[4-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806146
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807876
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 107680298) is 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1.
What is the InChIKey of 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FQYOKNQXNDXBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O2/c10-4-1-3(2-5(11)6(4)17)13-8(18)7-14-9(12)16-15-7/h1-2,17H,(H,13,18)(H3,12,14,15,16).
What are the key properties of 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 288.09 g/mol, XLogP of 1.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 107680298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).