2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C10H17N3O — CID 167214577

IUPAC2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESC=C(C)N1CCN2C(=O)N(C)CC2C1
InChIInChI=1S/C10H17N3O/c1-8(2)12-4-5-13-9(7-12)6-11(3)10(13)14/h9H,1,4-7H2,2-3H3
InChIKeyMBRJCEHOVYNITD-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.57
Rot. Bonds1

About 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 167214577) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID167214577
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESC=C(C)N1CCN2C(=O)N(C)CC2C1
InChIInChI=1S/C10H17N3O/c1-8(2)12-4-5-13-9(7-12)6-11(3)10(13)14/h9H,1,4-7H2,2-3H3
InChIKeyMBRJCEHOVYNITD-UHFFFAOYSA-N
XLogP0.57
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 167214577) is 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is C=C(C)N1CCN2C(=O)N(C)CC2C1.
What is the InChIKey of 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is MBRJCEHOVYNITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)12-4-5-13-9(7-12)6-11(3)10(13)14/h9H,1,4-7H2,2-3H3.
What are the key properties of 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-prop-1-en-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 167214577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).