2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H17N5O — CID 53013490

IUPAC2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CNc3ccc(C)c(C)c3)nc2n1
InChIInChI=1S/C15H17N5O/c1-9-4-5-12(6-10(9)2)16-8-13-18-15-17-11(3)7-14(21)20(15)19-13/h4-7,16H,8H2,1-3H3,(H,17,18,19)
InChIKeyDXDVQMQJIRLLRD-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.95
Rot. Bonds3

About 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53013490) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53013490
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CNc3ccc(C)c(C)c3)nc2n1
InChIInChI=1S/C15H17N5O/c1-9-4-5-12(6-10(9)2)16-8-13-18-15-17-11(3)7-14(21)20(15)19-13/h4-7,16H,8H2,1-3H3,(H,17,18,19)
InChIKeyDXDVQMQJIRLLRD-UHFFFAOYSA-N
XLogP1.95
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53013492
5-methyl-2-[(propan-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455377
2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455239
2-(4-tert-butylphenyl)-5-[(3,4-dimethylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53003235
5-[(3,4-dimethylanilino)methyl]-2-thiophen-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53045592
2-(3-aminopropyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455266
5-[(3,4-dimethylanilino)methyl]-2-[(4-ethoxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50747463
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
2-[2-(2-aminophenyl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107273700
cis-(1R,2S)-N-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 99779519
CID 156868790
CID 156868790
2-[(2-aminophenoxy)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455346

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53013490) is 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CNc3ccc(C)c(C)c3)nc2n1.
What is the InChIKey of 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DXDVQMQJIRLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-4-5-12(6-10(9)2)16-8-13-18-15-17-11(3)7-14(21)20(15)19-13/h4-7,16H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 283.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53013490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).