N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide

C16H15N5O — CID 661952

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide
SMILESNc1nc(NC(=O)Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H15N5O/c17-15-19-16(20-21(15)13-9-5-2-6-10-13)18-14(22)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,22)
InChIKeyQPIOHWQOBCJVBE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.03
Rot. Bonds4

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide (PubChem CID 661952) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide
PubChem CID661952
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide
SMILESNc1nc(NC(=O)Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C16H15N5O/c17-15-19-16(20-21(15)13-9-5-2-6-10-13)18-14(22)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,22)
InChIKeyQPIOHWQOBCJVBE-UHFFFAOYSA-N
XLogP2.03
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 703007
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CID 898295
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CID 20820292
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CID 703014
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CID 802849
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CID 52943663
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CID 52948550
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CID 168267320
CID 168267320

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide (CID 661952) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide is Nc1nc(NC(=O)Cc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide?
The InChIKey is QPIOHWQOBCJVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-15-19-16(20-21(15)13-9-5-2-6-10-13)18-14(22)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,22).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide has a molecular weight of 293.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 661952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).