N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide

C14H14N8O2 — CID 44615693

IUPACN-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(-c3nc(NC(C)=O)n[nH]3)cc2)n1
InChIInChI=1S/C14H14N8O2/c1-7(23)15-13-17-11(19-21-13)9-3-5-10(6-4-9)12-18-14(22-20-12)16-8(2)24/h3-6H,1-2H3,(H2,15,17,19,21,23)(H2,16,18,20,22,24)
InChIKeyFTUXYOJPRGSPDP-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.17
Rot. Bonds4

About N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide

N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 44615693) has the molecular formula C14H14N8O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID44615693
Molecular FormulaC14H14N8O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCC(=O)Nc1n[nH]c(-c2ccc(-c3nc(NC(C)=O)n[nH]3)cc2)n1
InChIInChI=1S/C14H14N8O2/c1-7(23)15-13-17-11(19-21-13)9-3-5-10(6-4-9)12-18-14(22-20-12)16-8(2)24/h3-6H,1-2H3,(H2,15,17,19,21,23)(H2,16,18,20,22,24)
InChIKeyFTUXYOJPRGSPDP-UHFFFAOYSA-N
XLogP1.17
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 3057114
1-ethyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
CID 4885272
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
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(2S)-2-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]propanamide;hydrochloride
CID 119273805
N-[5-(4-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2,2-dimethylpropanamide
CID 58561988
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylsulfonylpropanamide
CID 75419606
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
2,2-dimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 56762489
N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide
CID 9246070
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 44615693) is N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide is CC(=O)Nc1n[nH]c(-c2ccc(-c3nc(NC(C)=O)n[nH]3)cc2)n1.
What is the InChIKey of N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is FTUXYOJPRGSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O2/c1-7(23)15-13-17-11(19-21-13)9-3-5-10(6-4-9)12-18-14(22-20-12)16-8(2)24/h3-6H,1-2H3,(H2,15,17,19,21,23)(H2,16,18,20,22,24).
What are the key properties of N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide?
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 326.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 44615693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).