7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H22N6O — CID 135410504

IUPAC7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(C2C(C(N)=O)=C(C)Nc3ncnn32)cc1
InChIInChI=1S/C17H22N6O/c1-4-22(5-2)13-8-6-12(7-9-13)15-14(16(18)24)11(3)21-17-19-10-20-23(15)17/h6-10,15H,4-5H2,1-3H3,(H2,18,24)(H,19,20,21)
InChIKeyBOTITBKUJZHQPO-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.90
Rot. Bonds5

About 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135410504) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135410504
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)c1ccc(C2C(C(N)=O)=C(C)Nc3ncnn32)cc1
InChIInChI=1S/C17H22N6O/c1-4-22(5-2)13-8-6-12(7-9-13)15-14(16(18)24)11(3)21-17-19-10-20-23(15)17/h6-10,15H,4-5H2,1-3H3,(H2,18,24)(H,19,20,21)
InChIKeyBOTITBKUJZHQPO-UHFFFAOYSA-N
XLogP1.90
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135410504) is 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)c1ccc(C2C(C(N)=O)=C(C)Nc3ncnn32)cc1.
What is the InChIKey of 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BOTITBKUJZHQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-22(5-2)13-8-6-12(7-9-13)15-14(16(18)24)11(3)21-17-19-10-20-23(15)17/h6-10,15H,4-5H2,1-3H3,(H2,18,24)(H,19,20,21).
What are the key properties of 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(diethylamino)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135410504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).