1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one

C8H17N3O — CID 15395303

IUPAC1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
SMILESCC(C)N1CN(C)C(=O)N(C)C1
InChIInChI=1S/C8H17N3O/c1-7(2)11-5-9(3)8(12)10(4)6-11/h7H,5-6H2,1-4H3
InChIKeyDVMWQISAQZIXRH-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.61
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one

1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one (PubChem CID 15395303) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
PubChem CID15395303
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one
SMILESCC(C)N1CN(C)C(=O)N(C)C1
InChIInChI=1S/C8H17N3O/c1-7(2)11-5-9(3)8(12)10(4)6-11/h7H,5-6H2,1-4H3
InChIKeyDVMWQISAQZIXRH-UHFFFAOYSA-N
XLogP0.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one (CID 15395303) is 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one is CC(C)N1CN(C)C(=O)N(C)C1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one?
The InChIKey is DVMWQISAQZIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(2)11-5-9(3)8(12)10(4)6-11/h7H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one?
1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-1,3,5-triazinan-2-one is sourced from PubChem (CID 15395303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).