6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one

C11H13N5O — CID 136502815

IUPAC6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one
SMILESCC(C)Cc1nnc(-c2ncccn2)[nH]c1=O
InChIInChI=1S/C11H13N5O/c1-7(2)6-8-11(17)14-10(16-15-8)9-12-4-3-5-13-9/h3-5,7H,6H2,1-2H3,(H,14,16,17)
InChIKeySUABECJANMZJNK-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.82
Rot. Bonds3

About 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one

6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 136502815) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one
PubChem CID136502815
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one
SMILESCC(C)Cc1nnc(-c2ncccn2)[nH]c1=O
InChIInChI=1S/C11H13N5O/c1-7(2)6-8-11(17)14-10(16-15-8)9-12-4-3-5-13-9/h3-5,7H,6H2,1-2H3,(H,14,16,17)
InChIKeySUABECJANMZJNK-UHFFFAOYSA-N
XLogP0.82
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109614
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
7-methyl-2-(2-methylpropyl)-4H-pyrido[2,3-b]pyrazin-3-one
CID 132584780
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one
CID 132599737
5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677186
5-iodo-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 66316159
2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 103445182
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136741734

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one (CID 136502815) is 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one is CC(C)Cc1nnc(-c2ncccn2)[nH]c1=O.
What is the InChIKey of 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is SUABECJANMZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(2)6-8-11(17)14-10(16-15-8)9-12-4-3-5-13-9/h3-5,7H,6H2,1-2H3,(H,14,16,17).
What are the key properties of 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one?
6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 231.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-pyrimidin-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136502815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).