2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C11H15N5O — CID 20591096

IUPAC2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESC/C=N/c1nc2n(CCC)c(=O)c(C)cn2n1
InChIInChI=1S/C11H15N5O/c1-4-6-15-9(17)8(3)7-16-11(15)13-10(14-16)12-5-2/h5,7H,4,6H2,1-3H3/b12-5+
InChIKeySSSQKXLDPPQNRX-LFYBBSHMSA-N
MW233.28 g/mol
LogP1.33
Rot. Bonds3

About 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 20591096) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID20591096
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESC/C=N/c1nc2n(CCC)c(=O)c(C)cn2n1
InChIInChI=1S/C11H15N5O/c1-4-6-15-9(17)8(3)7-16-11(15)13-10(14-16)12-5-2/h5,7H,4,6H2,1-3H3/b12-5+
InChIKeySSSQKXLDPPQNRX-LFYBBSHMSA-N
XLogP1.33
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 20591096) is 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is C/C=N/c1nc2n(CCC)c(=O)c(C)cn2n1.
What is the InChIKey of 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is SSSQKXLDPPQNRX-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H15N5O/c1-4-6-15-9(17)8(3)7-16-11(15)13-10(14-16)12-5-2/h5,7H,4,6H2,1-3H3/b12-5+.
What are the key properties of 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 233.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-ethylideneamino]-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 20591096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).