3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide

C10H8ClF2N5O2 — CID 62794200

IUPAC3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClF2N5O2/c11-5-3-4(1-2-6(5)20-9(12)13)15-8(19)7-16-10(14)18-17-7/h1-3,9H,(H,15,19)(H3,14,16,17,18)
InChIKeyHWSRRXIPKGQMPS-UHFFFAOYSA-N
MW303.66 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62794200) has the molecular formula C10H8ClF2N5O2 and a molecular weight of 303.66 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62794200
Molecular FormulaC10H8ClF2N5O2
Molecular Weight303.66 g/mol
Exact Mass303.03
IUPAC Name3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1
InChIInChI=1S/C10H8ClF2N5O2/c11-5-3-4(1-2-6(5)20-9(12)13)15-8(19)7-16-10(14)18-17-7/h1-3,9H,(H,15,19)(H3,14,16,17,18)
InChIKeyHWSRRXIPKGQMPS-UHFFFAOYSA-N
XLogP1.89
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.66
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806476
3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 107680298
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(dimethylamino)benzamide
CID 24576004

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62794200) is 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HWSRRXIPKGQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N5O2/c11-5-3-4(1-2-6(5)20-9(12)13)15-8(19)7-16-10(14)18-17-7/h1-3,9H,(H,15,19)(H3,14,16,17,18).
What are the key properties of 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 303.66 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62794200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).