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

C7H11N3O — CID 105429895

IUPAC5-(2-methylpropyl)-2H-1,2,4-triazin-3-one
SMILESCC(C)Cc1cn[nH]c(=O)n1
InChIInChI=1S/C7H11N3O/c1-5(2)3-6-4-8-10-7(11)9-6/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyZORCGHVJBKVHBK-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.36
Rot. Bonds2

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

5-(2-methylpropyl)-2H-1,2,4-triazin-3-one (PubChem CID 105429895) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2H-1,2,4-triazin-3-one
PubChem CID105429895
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-(2-methylpropyl)-2H-1,2,4-triazin-3-one
SMILESCC(C)Cc1cn[nH]c(=O)n1
InChIInChI=1S/C7H11N3O/c1-5(2)3-6-4-8-10-7(11)9-6/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKeyZORCGHVJBKVHBK-UHFFFAOYSA-N
XLogP0.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(2-methylpropyl)-1H-pyrazol-5-amine
CID 156578680
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236
2,3-dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
4-methyl-5-(2-methylpropyl)-1H-pyrazole
CID 3805989
4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
CID 155459840
5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one
CID 22694034
5-(2-methylpropyl)-1,2,4-triazin-3-amine
CID 105429780
7-(2-methylpropyl)-1H-indazole
CID 167194868
N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
CID 105439777
2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
CID 105448907
4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
6,7-dichloro-2-(2-methylpropyl)quinoxaline
CID 141430619

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one (CID 105429895) is 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one is CC(C)Cc1cn[nH]c(=O)n1.
What is the InChIKey of 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one?
The InChIKey is ZORCGHVJBKVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)3-6-4-8-10-7(11)9-6/h4-5H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one?
5-(2-methylpropyl)-2H-1,2,4-triazin-3-one has a molecular weight of 153.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 105429895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).