6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride

C9H18ClN3O — CID 70346832

IUPAC6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride
SMILESCC(C)CC1N=C(N)CN(C)C1=O.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-6(2)4-7-9(13)12(3)5-8(10)11-7;/h6-7H,4-5H2,1-3H3,(H2,10,11);1H
InChIKeyHJZHDLQDUKGNDV-UHFFFAOYSA-N
MW219.72 g/mol
LogP0.65
Rot. Bonds2

About 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride

6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride (PubChem CID 70346832) has the molecular formula C9H18ClN3O and a molecular weight of 219.72 g/mol. Its IUPAC name is 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride
PubChem CID70346832
Molecular FormulaC9H18ClN3O
Molecular Weight219.72 g/mol
Exact Mass219.11
IUPAC Name6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride
SMILESCC(C)CC1N=C(N)CN(C)C1=O.Cl
InChIInChI=1S/C9H17N3O.ClH/c1-6(2)4-7-9(13)12(3)5-8(10)11-7;/h6-7H,4-5H2,1-3H3,(H2,10,11);1H
InChIKeyHJZHDLQDUKGNDV-UHFFFAOYSA-N
XLogP0.65
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride?
The IUPAC name of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride (CID 70346832) is 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride.
What is the SMILES notation for 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride?
The canonical SMILES for 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride is CC(C)CC1N=C(N)CN(C)C1=O.Cl.
What is the InChIKey of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride?
The InChIKey is HJZHDLQDUKGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.ClH/c1-6(2)4-7-9(13)12(3)5-8(10)11-7;/h6-7H,4-5H2,1-3H3,(H2,10,11);1H.
What are the key properties of 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride?
6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2-(2-methylpropyl)-2,5-dihydropyrazin-3-one;hydrochloride is sourced from PubChem (CID 70346832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).