1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one

C9H12N4O — CID 10679286

IUPAC1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESCc1cccc(N2CCNC(=O)N2)n1
InChIInChI=1S/C9H12N4O/c1-7-3-2-4-8(11-7)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14)
InChIKeyBZLJPUOWANDADP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.42
Rot. Bonds1

About 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one

1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one (PubChem CID 10679286) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one
PubChem CID10679286
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one
SMILESCc1cccc(N2CCNC(=O)N2)n1
InChIInChI=1S/C9H12N4O/c1-7-3-2-4-8(11-7)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14)
InChIKeyBZLJPUOWANDADP-UHFFFAOYSA-N
XLogP0.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)urea
CID 934768
N,N'-Bis(6-methyl-2-pyridinyl)urea
CID 650730
Piperazine, 1-(6-methyl-2-pyridinyl)-, dihydrochloride
CID 3078152
1-(6-Methylpyridin-2-yl)-3-propyl-urea
CID 6469265
1,2,4-Triazin-3(2H)-one, tetrahydro-1-(2-pyridinyl)-
CID 10702459
Piperazine, 1-(6-hexyl-2-pyridinyl)-
CID 3078157
1-(6-Chloro-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10059051
1-(6-Bromo-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10587216
1-(6-Fluoro-pyridin-2-yl)-5-methyl-[1,2,4]triazinan-3-one
CID 10632239
1-(6-Chloro-pyridin-2-yl)-5-methyl-[1,2,4]triazinan-3-one
CID 10633035
5-Methyl-1-(6-methyl-pyridin-2-yl)-[1,2,4]triazinan-3-one
CID 10726964
1-[2,2'']Bipyridinyl-6-yl-[1,2,4]triazinan-3-one
CID 10824904

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one (CID 10679286) is 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one is Cc1cccc(N2CCNC(=O)N2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
The InChIKey is BZLJPUOWANDADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-3-2-4-8(11-7)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14).
What are the key properties of 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one?
1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-1,2,4-triazinan-3-one is sourced from PubChem (CID 10679286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).