3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one

C10H13N5O — CID 115657026

IUPAC3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCCn1cccn1
InChIInChI=1S/C10H13N5O/c16-10-9(12-5-6-13-10)11-3-1-7-15-8-2-4-14-15/h2,4-6,8H,1,3,7H2,(H,11,12)(H,13,16)
InChIKeyVOBKXVHCKKFNSB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.47
Rot. Bonds5

About 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one

3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one (PubChem CID 115657026) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
PubChem CID115657026
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCCn1cccn1
InChIInChI=1S/C10H13N5O/c16-10-9(12-5-6-13-10)11-3-1-7-15-8-2-4-14-15/h2,4-6,8H,1,3,7H2,(H,11,12)(H,13,16)
InChIKeyVOBKXVHCKKFNSB-UHFFFAOYSA-N
XLogP0.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
3-(3-pyrazol-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 113413256
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
4-methyl-2-(3-pyrazol-1-ylpropylamino)pyridine-3-carboxamide
CID 167948266
5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 115579247
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one (CID 115657026) is 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one is O=c1[nH]ccnc1NCCCn1cccn1.
What is the InChIKey of 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one?
The InChIKey is VOBKXVHCKKFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-9(12-5-6-13-10)11-3-1-7-15-8-2-4-14-15/h2,4-6,8H,1,3,7H2,(H,11,12)(H,13,16).
What are the key properties of 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one?
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115657026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).