ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one

C10H20N2O — CID 168925539

IUPACethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one
SMILESCC.CC(C)C1C(=O)NC=CN1C
InChIInChI=1S/C8H14N2O.C2H6/c1-6(2)7-8(11)9-4-5-10(7)3;1-2/h4-7H,1-3H3,(H,9,11);1-2H3
InChIKeyCECWKSJWKQKOMK-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.57
Rot. Bonds1

About ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one

ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one (PubChem CID 168925539) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one
PubChem CID168925539
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one
SMILESCC.CC(C)C1C(=O)NC=CN1C
InChIInChI=1S/C8H14N2O.C2H6/c1-6(2)7-8(11)9-4-5-10(7)3;1-2/h4-7H,1-3H3,(H,9,11);1-2H3
InChIKeyCECWKSJWKQKOMK-UHFFFAOYSA-N
XLogP1.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
The IUPAC name of ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one (CID 168925539) is ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one.
What is the SMILES notation for ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
The canonical SMILES for ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one is CC.CC(C)C1C(=O)NC=CN1C.
What is the InChIKey of ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
The InChIKey is CECWKSJWKQKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-6(2)7-8(11)9-4-5-10(7)3;1-2/h4-7H,1-3H3,(H,9,11);1-2H3.
What are the key properties of ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one?
ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-propan-2-yl-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 168925539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).