5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C6H10N4O — CID 19599032

IUPAC5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2NCNC2N1
InChIInChI=1S/C6H10N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2,6-9H,3H2,1H3
InChIKeyALMHYQCNISFJKA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-1.33
Rot. Bonds

About 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 19599032) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID19599032
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC1=CC(=O)N2NCNC2N1
InChIInChI=1S/C6H10N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2,6-9H,3H2,1H3
InChIKeyALMHYQCNISFJKA-UHFFFAOYSA-N
XLogP-1.33
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 19599032) is 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC1=CC(=O)N2NCNC2N1.
What is the InChIKey of 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ALMHYQCNISFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2,6-9H,3H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 154.17 g/mol, XLogP of -1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4-tetrahydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 19599032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).