3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one

C10H14N4O — CID 67439387

IUPAC3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one
SMILESNC=CCc1cnc(CC=CN)c(=O)[nH]1
InChIInChI=1S/C10H14N4O/c11-5-1-3-8-7-13-9(4-2-6-12)10(15)14-8/h1-2,5-7H,3-4,11-12H2,(H,14,15)
InChIKeyWIGWCVFMDCYCKC-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.20
Rot. Bonds4

About 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one

3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one (PubChem CID 67439387) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one
PubChem CID67439387
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one
SMILESNC=CCc1cnc(CC=CN)c(=O)[nH]1
InChIInChI=1S/C10H14N4O/c11-5-1-3-8-7-13-9(4-2-6-12)10(15)14-8/h1-2,5-7H,3-4,11-12H2,(H,14,15)
InChIKeyWIGWCVFMDCYCKC-UHFFFAOYSA-N
XLogP-0.20
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
The IUPAC name of 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one (CID 67439387) is 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
The canonical SMILES for 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one is NC=CCc1cnc(CC=CN)c(=O)[nH]1.
What is the InChIKey of 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
The InChIKey is WIGWCVFMDCYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-5-1-3-8-7-13-9(4-2-6-12)10(15)14-8/h1-2,5-7H,3-4,11-12H2,(H,14,15).
What are the key properties of 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-aminoprop-2-enyl)-1H-pyrazin-2-one is sourced from PubChem (CID 67439387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).