3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one

C7H11N3O — CID 162772403

IUPAC3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-4(2)6-7(11)8-5(3)9-10-6/h4H,1-3H3,(H,8,9,11)
InChIKeyYHFCJBSJXFNSBK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.60
Rot. Bonds1

About 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one

3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 162772403) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one
PubChem CID162772403
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-4(2)6-7(11)8-5(3)9-10-6/h4H,1-3H3,(H,8,9,11)
InChIKeyYHFCJBSJXFNSBK-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

6-(1-aminoethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 137158008
2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136692837
N-[1-(3-methyl-5-oxo-4H-1,2,4-triazin-6-yl)ethyl]acetamide;phosphoryl trichloride
CID 136653763
3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxylic acid
CID 135905248
5-chloro-2,4-dimethyl-1H-pyrimidin-6-one;2-methylpropane
CID 145286848
4,5-dichloro-2-methyl-1H-pyrimidin-6-one
CID 135621449
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
CID 158455247
1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyridazine
CID 177071182
CID 178007921
CID 178007921
2-methyl-7-propan-2-yl-3H-imidazo[2,1-f][1,2,4]triazin-4-one
CID 158000206
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one (CID 162772403) is 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one is Cc1nnc(C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is YHFCJBSJXFNSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4(2)6-7(11)8-5(3)9-10-6/h4H,1-3H3,(H,8,9,11).
What are the key properties of 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one?
3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 162772403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).