2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide

C17H24N4O — CID 47093474

IUPAC2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)N(C(C)C)C(C)C)n1
InChIInChI=1S/C17H24N4O/c1-12(2)21(13(3)4)16(22)11-20-17(18-14(5)19-20)15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3
InChIKeyPVVIJWWOEAQIBX-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.90
Rot. Bonds5

About 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide

2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 47093474) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID47093474
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)N(C(C)C)C(C)C)n1
InChIInChI=1S/C17H24N4O/c1-12(2)21(13(3)4)16(22)11-20-17(18-14(5)19-20)15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3
InChIKeyPVVIJWWOEAQIBX-UHFFFAOYSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide (CID 47093474) is 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide is Cc1nc(-c2ccccc2)n(CC(=O)N(C(C)C)C(C)C)n1.
What is the InChIKey of 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is PVVIJWWOEAQIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)21(13(3)4)16(22)11-20-17(18-14(5)19-20)15-9-7-6-8-10-15/h6-10,12-13H,11H2,1-5H3.
What are the key properties of 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide?
2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 300.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 47093474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).