3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one

C15H16N6O2 — CID 135670774

IUPAC3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
SMILESCCCOc1ccccc1-c1nc2nc(NC)nnc2c(=O)[nH]1
InChIInChI=1S/C15H16N6O2/c1-3-8-23-10-7-5-4-6-9(10)12-17-13-11(14(22)18-12)20-21-15(16-2)19-13/h4-7H,3,8H2,1-2H3,(H2,16,17,18,19,21,22)
InChIKeyVHPKXSMMUOFEQV-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.61
Rot. Bonds5

About 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one

3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one (PubChem CID 135670774) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one.

Molecular Properties

Compound Name3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
PubChem CID135670774
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one
SMILESCCCOc1ccccc1-c1nc2nc(NC)nnc2c(=O)[nH]1
InChIInChI=1S/C15H16N6O2/c1-3-8-23-10-7-5-4-6-9(10)12-17-13-11(14(22)18-12)20-21-15(16-2)19-13/h4-7H,3,8H2,1-2H3,(H2,16,17,18,19,21,22)
InChIKeyVHPKXSMMUOFEQV-UHFFFAOYSA-N
XLogP1.61
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
2-hydrazinyl-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135670787
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157
ethyl 3-[[5-oxo-7-(2-propoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-2-yl]amino]propanoate
CID 135670771
2-(2-propoxyphenyl)-4-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135845406
2-(2-ethoxyphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135670755
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452
2-methoxy-6-(2-propoxyphenyl)-1H-1,3,5-triazine-4-thione
CID 106521583
8-(4-hydroxynonan-3-yl)-2-(2-propoxyphenyl)-3H-quinazolin-4-one
CID 135494406
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one?
The IUPAC name of 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one (CID 135670774) is 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one.
What is the SMILES notation for 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one?
The canonical SMILES for 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one is CCCOc1ccccc1-c1nc2nc(NC)nnc2c(=O)[nH]1.
What is the InChIKey of 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one?
The InChIKey is VHPKXSMMUOFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-8-23-10-7-5-4-6-9(10)12-17-13-11(14(22)18-12)20-21-15(16-2)19-13/h4-7H,3,8H2,1-2H3,(H2,16,17,18,19,21,22).
What are the key properties of 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one?
3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one has a molecular weight of 312.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-(2-propoxyphenyl)-7H-pyrimido[4,5-e][1,2,4]triazin-8-one is sourced from PubChem (CID 135670774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).