N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C22H21N5O — CID 2438322

IUPACN-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)C(c3ccccc3)c3ccccc3)nc2n1
InChIInChI=1S/C22H21N5O/c1-15-14-16(2)27-22(23-15)24-20(25-27)21(28)26(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3
InChIKeySBEVVKJRCGVATA-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.60
Rot. Bonds4

About N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2438322) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2438322
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C)C(c3ccccc3)c3ccccc3)nc2n1
InChIInChI=1S/C22H21N5O/c1-15-14-16(2)27-22(23-15)24-20(25-27)21(28)26(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3
InChIKeySBEVVKJRCGVATA-UHFFFAOYSA-N
XLogP3.60
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2438322) is N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C)C(c3ccccc3)c3ccccc3)nc2n1.
What is the InChIKey of N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SBEVVKJRCGVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-14-16(2)27-22(23-15)24-20(25-27)21(28)26(3)19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3.
What are the key properties of N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2438322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).