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

C17H17N5O3 — CID 134816132

IUPACN-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1cnc(N(O)O)n1)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H17N5O3/c23-16(11-21-12-18-17(20-21)22(24)25)19-15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,12,24-25H,10-11H2,(H,19,23)
InChIKeyACKWSNMOIBDJRM-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.09
Rot. Bonds6

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

N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide (PubChem CID 134816132) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
PubChem CID134816132
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1cnc(N(O)O)n1)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H17N5O3/c23-16(11-21-12-18-17(20-21)22(24)25)19-15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,12,24-25H,10-11H2,(H,19,23)
InChIKeyACKWSNMOIBDJRM-UHFFFAOYSA-N
XLogP2.09
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide (CID 134816132) is N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide is O=C(Cn1cnc(N(O)O)n1)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is ACKWSNMOIBDJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-16(11-21-12-18-17(20-21)22(24)25)19-15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,12,24-25H,10-11H2,(H,19,23).
What are the key properties of N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 339.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 134816132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).