8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H13N5O — CID 94076802

IUPAC8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(-c2ccncc2)n2c(=O)[nH]nc12
InChIInChI=1S/C13H13N5O/c1-3-10-8(2)15-11(9-4-6-14-7-5-9)18-12(10)16-17-13(18)19/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyPBJKIYZFEKNRTD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.35
Rot. Bonds2

About 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076802) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076802
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1c(C)nc(-c2ccncc2)n2c(=O)[nH]nc12
InChIInChI=1S/C13H13N5O/c1-3-10-8(2)15-11(9-4-6-14-7-5-9)18-12(10)16-17-13(18)19/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyPBJKIYZFEKNRTD-UHFFFAOYSA-N
XLogP1.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

5-(3-chlorophenyl)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95923512
5-(dimethylamino)-8-ethyl-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94674777
4-methyl-3-pyridin-4-yl-1H-1,2,4-triazol-5-one
CID 3088268
4-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1H-1,2,4-triazol-5-one
CID 50980637
4-(cyclohexylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazol-5-one
CID 50961384
5,7-diethyl-8-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076853
7,8-dipentyl-5-prop-2-enyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 69236150
2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
CID 20533850
4-[2-[cyclopropyl(methyl)amino]ethyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
CID 62978869
N-[2-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]methanesulfonamide
CID 43546210
7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076807
1-(5-ethyl-6-methyl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
CID 56767615

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076802) is 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCc1c(C)nc(-c2ccncc2)n2c(=O)[nH]nc12.
What is the InChIKey of 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is PBJKIYZFEKNRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-3-10-8(2)15-11(9-4-6-14-7-5-9)18-12(10)16-17-13(18)19/h4-7H,3H2,1-2H3,(H,17,19).
What are the key properties of 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 255.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methyl-5-pyridin-4-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).