3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one

C7H12N4O2 — CID 127009394

IUPAC3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
SMILESNC(CO)CNc1ncc[nH]c1=O
InChIInChI=1S/C7H12N4O2/c8-5(4-12)3-11-6-7(13)10-2-1-9-6/h1-2,5,12H,3-4,8H2,(H,9,11)(H,10,13)
InChIKeyDLGIAXDETCYXIJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.50
Rot. Bonds4

About 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one

3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one (PubChem CID 127009394) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
PubChem CID127009394
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one
SMILESNC(CO)CNc1ncc[nH]c1=O
InChIInChI=1S/C7H12N4O2/c8-5(4-12)3-11-6-7(13)10-2-1-9-6/h1-2,5,12H,3-4,8H2,(H,9,11)(H,10,13)
InChIKeyDLGIAXDETCYXIJ-UHFFFAOYSA-N
XLogP-1.50
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxy-2-methylpropyl)amino]-1H-pyrazin-2-one
CID 115657236
2-[(2-oxo-1H-pyrazin-3-yl)amino]-N-propan-2-ylacetamide
CID 115650193
3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
CID 115677846
3-[2-(2-chloroethyl)pentylamino]-1H-pyrazin-2-one
CID 106117410
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
methyl 3-hydroxy-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanoate
CID 114571199
N-(2-methylpropyl)-3-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569295
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrazin-2-one
CID 114569048
3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one (CID 127009394) is 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one is NC(CO)CNc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
The InChIKey is DLGIAXDETCYXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-5(4-12)3-11-6-7(13)10-2-1-9-6/h1-2,5,12H,3-4,8H2,(H,9,11)(H,10,13).
What are the key properties of 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one?
3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one has a molecular weight of 184.20 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-hydroxypropyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 127009394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).