3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one

C10H18N4O — CID 114570963

IUPAC3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
SMILESCC(C)CC(CN)Nc1ncc[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-7(2)5-8(6-11)14-9-10(15)13-4-3-12-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYVRWEIFAPJAXSY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.56
Rot. Bonds5

About 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one

3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one (PubChem CID 114570963) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
PubChem CID114570963
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one
SMILESCC(C)CC(CN)Nc1ncc[nH]c1=O
InChIInChI=1S/C10H18N4O/c1-7(2)5-8(6-11)14-9-10(15)13-4-3-12-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYVRWEIFAPJAXSY-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one (CID 114570963) is 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one is CC(C)CC(CN)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one?
The InChIKey is YVRWEIFAPJAXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)5-8(6-11)14-9-10(15)13-4-3-12-9/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one?
3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-4-methylpentan-2-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114570963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).