2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide

C16H15N5O3 — CID 134816133

IUPAC2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide
SMILESO=C(Cn1cnc(N(O)O)n1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H15N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,23-24H,10H2,(H,18,22)
InChIKeyCBTTXXOZZBXKQO-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.17
Rot. Bonds5

About 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide

2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide (PubChem CID 134816133) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide
PubChem CID134816133
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide
SMILESO=C(Cn1cnc(N(O)O)n1)Nc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H15N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,23-24H,10H2,(H,18,22)
InChIKeyCBTTXXOZZBXKQO-UHFFFAOYSA-N
XLogP2.17
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 16195091
CID 16195091
CID 15990151
CID 15990151
CID 44601554
CID 44601554
CID 45281067
CID 45281067
CID 118732528
CID 118732528
CID 118732530
CID 118732530
CID 122188138
CID 122188138
CID 122188140
CID 122188140
CID 145965809
CID 145965809
CID 162673839
CID 162673839
CID 5002105
CID 5002105
CID 45281072
CID 45281072

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide?
The IUPAC name of 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide (CID 134816133) is 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide.
What is the SMILES notation for 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide?
The canonical SMILES for 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide is O=C(Cn1cnc(N(O)O)n1)Nc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide?
The InChIKey is CBTTXXOZZBXKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11,23-24H,10H2,(H,18,22).
What are the key properties of 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide?
2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide has a molecular weight of 325.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylphenyl)acetamide is sourced from PubChem (CID 134816133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).