N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide

C15H11ClN4O2 — CID 977203

IUPACN-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ncn[nH]1
InChIInChI=1S/C15H11ClN4O2/c16-10-1-5-12(6-2-10)22-13-7-3-11(4-8-13)19-15(21)14-17-9-18-20-14/h1-9H,(H,19,21)(H,17,18,20)
InChIKeyBKTZLHNYEJDQDF-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 977203) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID977203
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ncn[nH]1
InChIInChI=1S/C15H11ClN4O2/c16-10-1-5-12(6-2-10)22-13-7-3-11(4-8-13)19-15(21)14-17-9-18-20-14/h1-9H,(H,19,21)(H,17,18,20)
InChIKeyBKTZLHNYEJDQDF-UHFFFAOYSA-N
XLogP3.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-N-(4-phenoxyphenyl)-4-(4H-1,2,4-triazol-3-yl)butanamide
CID 24901640
N-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990128
3-(1H-1,2,4-triazol-1-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 1473640
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
N-[4-(4-chlorophenoxy)phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 122188135
1H-[1,2,4]Triazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 757848
N-(4-ethoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15944271
N-(2-methoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 741072
2-(4-chlorophenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 45883374
N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122188137
[4-(4-methoxyphenyl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 595581
1-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-methyl-1H-1,2,4-triazole-3-carboxamide
CID 24825102

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 977203) is N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ncn[nH]1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BKTZLHNYEJDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-10-1-5-12(6-2-10)22-13-7-3-11(4-8-13)19-15(21)14-17-9-18-20-14/h1-9H,(H,19,21)(H,17,18,20).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 977203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).