1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one

C14H14N4O3 — CID 62929337

IUPAC1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCc2cccc([N+](=O)[O-])c2)nccn1C1CC1
InChIInChI=1S/C14H14N4O3/c19-14-13(15-6-7-17(14)11-4-5-11)16-9-10-2-1-3-12(8-10)18(20)21/h1-3,6-8,11H,4-5,9H2,(H,15,16)
InChIKeyQPLBVFOSAHBGHR-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one (PubChem CID 62929337) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one
PubChem CID62929337
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one
SMILESO=c1c(NCc2cccc([N+](=O)[O-])c2)nccn1C1CC1
InChIInChI=1S/C14H14N4O3/c19-14-13(15-6-7-17(14)11-4-5-11)16-9-10-2-1-3-12(8-10)18(20)21/h1-3,6-8,11H,4-5,9H2,(H,15,16)
InChIKeyQPLBVFOSAHBGHR-UHFFFAOYSA-N
XLogP2.10
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one
CID 126769696
1-cyclopropyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]pyrazin-2-one
CID 126769157
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrazin-2-one
CID 82740294
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
3-[(4-nitrophenyl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62940372
N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906
3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
CID 106845044
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62940892
5-bromo-3-chloro-N-[(3-nitrophenyl)methyl]pyridin-2-amine
CID 103580153
6-chloro-5-methyl-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 114156694
1-cyclopropyl-3-(2-phenylpropylamino)pyrazin-2-one
CID 115917119
6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 80648081

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one (CID 62929337) is 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one is O=c1c(NCc2cccc([N+](=O)[O-])c2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one?
The InChIKey is QPLBVFOSAHBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-14-13(15-6-7-17(14)11-4-5-11)16-9-10-2-1-3-12(8-10)18(20)21/h1-3,6-8,11H,4-5,9H2,(H,15,16).
What are the key properties of 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3-nitrophenyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 62929337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).