3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide

C14H25N5O — CID 62939297

IUPAC3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC(C)C)c1nccn(CCC)c1=O
InChIInChI=1S/C14H25N5O/c1-4-7-18-9-6-17-13(14(18)20)19(10-11(2)3)8-5-12(15)16/h6,9,11H,4-5,7-8,10H2,1-3H3,(H3,15,16)
InChIKeyRETWLXVGGIWFAZ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.44
Rot. Bonds8

About 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide

3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide (PubChem CID 62939297) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
PubChem CID62939297
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC(C)C)c1nccn(CCC)c1=O
InChIInChI=1S/C14H25N5O/c1-4-7-18-9-6-17-13(14(18)20)19(10-11(2)3)8-5-12(15)16/h6,9,11H,4-5,7-8,10H2,1-3H3,(H3,15,16)
InChIKeyRETWLXVGGIWFAZ-UHFFFAOYSA-N
XLogP1.44
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938598
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938766
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528120
2-[ethyl-(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
CID 62939086
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76981233
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
The IUPAC name of 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide (CID 62939297) is 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CC(C)C)c1nccn(CCC)c1=O.
What is the InChIKey of 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
The InChIKey is RETWLXVGGIWFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-7-18-9-6-17-13(14(18)20)19(10-11(2)3)8-5-12(15)16/h6,9,11H,4-5,7-8,10H2,1-3H3,(H3,15,16).
What are the key properties of 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide has a molecular weight of 279.39 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide is sourced from PubChem (CID 62939297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).