5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

C16H19N5O — CID 53014980

IUPAC5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESCc1ccccc1Nc1cc(C)n2c(=O)n(C(C)C)nc2n1
InChIInChI=1S/C16H19N5O/c1-10(2)21-16(22)20-12(4)9-14(18-15(20)19-21)17-13-8-6-5-7-11(13)3/h5-10H,1-4H3,(H,17,18,19)
InChIKeyWKJHHNBWPBKKEQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (PubChem CID 53014980) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
PubChem CID53014980
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESCc1ccccc1Nc1cc(C)n2c(=O)n(C(C)C)nc2n1
InChIInChI=1S/C16H19N5O/c1-10(2)21-16(22)20-12(4)9-14(18-15(20)19-21)17-13-8-6-5-7-11(13)3/h5-10H,1-4H3,(H,17,18,19)
InChIKeyWKJHHNBWPBKKEQ-UHFFFAOYSA-N
XLogP2.83
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one 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 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (CID 53014980) is 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is Cc1ccccc1Nc1cc(C)n2c(=O)n(C(C)C)nc2n1.
What is the InChIKey of 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The InChIKey is WKJHHNBWPBKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)21-16(22)20-12(4)9-14(18-15(20)19-21)17-13-8-6-5-7-11(13)3/h5-10H,1-4H3,(H,17,18,19).
What are the key properties of 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one has a molecular weight of 297.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-methylanilino)-2-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is sourced from PubChem (CID 53014980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).