N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C15H20N4O — CID 51103533

IUPACN,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C)nn1-c1ccccc1C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)12-8-6-7-9-13(12)19-11(3)16-14(17-19)15(20)18(4)5/h6-10H,1-5H3
InChIKeyXPZPLTJPEXWLAO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds3

About N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 51103533) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID51103533
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)N(C)C)nn1-c1ccccc1C(C)C
InChIInChI=1S/C15H20N4O/c1-10(2)12-8-6-7-9-13(12)19-11(3)16-14(17-19)15(20)18(4)5/h6-10H,1-5H3
InChIKeyXPZPLTJPEXWLAO-UHFFFAOYSA-N
XLogP2.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 51103533) is N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)N(C)C)nn1-c1ccccc1C(C)C.
What is the InChIKey of N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is XPZPLTJPEXWLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)12-8-6-7-9-13(12)19-11(3)16-14(17-19)15(20)18(4)5/h6-10H,1-5H3.
What are the key properties of N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 51103533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).