1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine

C9H16N6O — CID 139062113

IUPAC1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine
SMILESCN1CCCC1=O.Cc1nc(N)nc(N)n1
InChIInChI=1S/C5H9NO.C4H7N5/c1-6-4-2-3-5(6)7;1-2-7-3(5)9-4(6)8-2/h2-4H2,1H3;1H3,(H4,5,6,7,8,9)
InChIKeyKOKNWJQWBDHSJB-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.42
Rot. Bonds

About 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine

1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 139062113) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID139062113
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine
SMILESCN1CCCC1=O.Cc1nc(N)nc(N)n1
InChIInChI=1S/C5H9NO.C4H7N5/c1-6-4-2-3-5(6)7;1-2-7-3(5)9-4(6)8-2/h2-4H2,1H3;1H3,(H4,5,6,7,8,9)
InChIKeyKOKNWJQWBDHSJB-UHFFFAOYSA-N
XLogP-0.42
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine (CID 139062113) is 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine is CN1CCCC1=O.Cc1nc(N)nc(N)n1.
What is the InChIKey of 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KOKNWJQWBDHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H7N5/c1-6-4-2-3-5(6)7;1-2-7-3(5)9-4(6)8-2/h2-4H2,1H3;1H3,(H4,5,6,7,8,9).
What are the key properties of 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine?
1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 224.27 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidin-2-one;6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139062113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).