3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C14H23N5O2 — CID 76981233

IUPAC3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H23N5O2/c1-10(2)9-18(7-5-12(15)17-21)13-14(20)19(8-6-16-13)11-3-4-11/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H2,15,17)
InChIKeyIMWODGDCHPQRLV-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.18
Rot. Bonds7

About 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76981233) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID76981233
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CCC(N)=NO)c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H23N5O2/c1-10(2)9-18(7-5-12(15)17-21)13-14(20)19(8-6-16-13)11-3-4-11/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H2,15,17)
InChIKeyIMWODGDCHPQRLV-UHFFFAOYSA-N
XLogP1.18
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 76981233) is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CCC(N)=NO)c1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is IMWODGDCHPQRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)9-18(7-5-12(15)17-21)13-14(20)19(8-6-16-13)11-3-4-11/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 293.37 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76981233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).