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

C10H7ClF3N5O — CID 62806476

IUPAC3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7ClF3N5O/c11-6-2-1-4(3-5(6)10(12,13)14)16-8(20)7-17-9(15)19-18-7/h1-3H,(H,16,20)(H3,15,17,18,19)
InChIKeyRUTSNUKFLVVSKO-UHFFFAOYSA-N
MW305.65 g/mol
LogP2.31
Rot. Bonds2

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

3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806476) has the molecular formula C10H7ClF3N5O and a molecular weight of 305.65 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806476
Molecular FormulaC10H7ClF3N5O
Molecular Weight305.65 g/mol
Exact Mass305.03
IUPAC Name3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7ClF3N5O/c11-6-2-1-4(3-5(6)10(12,13)14)16-8(20)7-17-9(15)19-18-7/h1-3H,(H,16,20)(H3,15,17,18,19)
InChIKeyRUTSNUKFLVVSKO-UHFFFAOYSA-N
XLogP2.31
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
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CID 107680298
3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-2H-triazole-4-carboxamide
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CID 110863765
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
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CID 62807354
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CID 2546301
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2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62806476) is 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is RUTSNUKFLVVSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N5O/c11-6-2-1-4(3-5(6)10(12,13)14)16-8(20)7-17-9(15)19-18-7/h1-3H,(H,16,20)(H3,15,17,18,19).
What are the key properties of 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 305.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).