3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one

C6H5N5O — CID 135460323

IUPAC3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
SMILESCc1nnc2nc[nH]c(=O)c2n1
InChIInChI=1S/C6H5N5O/c1-3-9-4-5(11-10-3)7-2-8-6(4)12/h2H,1H3,(H,7,8,11,12)
InChIKeyABKQRFLLYWKELO-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.58
Rot. Bonds

About 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one

3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one (PubChem CID 135460323) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one.

Molecular Properties

Compound Name3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
PubChem CID135460323
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
SMILESCc1nnc2nc[nH]c(=O)c2n1
InChIInChI=1S/C6H5N5O/c1-3-9-4-5(11-10-3)7-2-8-6(4)12/h2H,1H3,(H,7,8,11,12)
InChIKeyABKQRFLLYWKELO-UHFFFAOYSA-N
XLogP-0.58
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,7-dihydropurin-6-one
CID 135546991
6-methoxy-3H-pteridin-4-one
CID 135742619
azane;1,7-dihydropurin-6-one
CID 158320966
1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
CID 135510405
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
CID 135410720
2-methyl-1,7-dihydropurin-6-one
CID 135449674
6-(3-methylphenyl)-3H-pteridin-4-one
CID 155956896
5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135408240
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
6-[(1R,2S)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
CID 136646470
6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
8-fluoro-9-methyl-1H-purin-6-one
CID 166765010

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one?
The IUPAC name of 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one (CID 135460323) is 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one.
What is the SMILES notation for 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one?
The canonical SMILES for 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one is Cc1nnc2nc[nH]c(=O)c2n1.
What is the InChIKey of 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one?
The InChIKey is ABKQRFLLYWKELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c1-3-9-4-5(11-10-3)7-2-8-6(4)12/h2H,1H3,(H,7,8,11,12).
What are the key properties of 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one?
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one has a molecular weight of 163.14 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one is sourced from PubChem (CID 135460323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).