3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide

C12H21N5O — CID 62938598

IUPAC3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nccn(CC)c1=O)C(C)C
InChIInChI=1S/C12H21N5O/c1-4-16-8-6-15-11(12(16)18)17(9(2)3)7-5-10(13)14/h6,8-9H,4-5,7H2,1-3H3,(H3,13,14)
InChIKeyDTHLHYSZKBUENF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds6

About 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide

3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide (PubChem CID 62938598) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound Name3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
PubChem CID62938598
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nccn(CC)c1=O)C(C)C
InChIInChI=1S/C12H21N5O/c1-4-16-8-6-15-11(12(16)18)17(9(2)3)7-5-10(13)14/h6,8-9H,4-5,7H2,1-3H3,(H3,13,14)
InChIKeyDTHLHYSZKBUENF-UHFFFAOYSA-N
XLogP0.80
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
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-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938766
3-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 62939297
3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]-propan-2-ylamino]propanethioamide
CID 62939107
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 62733411
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
CID 62940592
3-[(4-ethyl-3-oxopyrazin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55155638
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494
3-[propan-2-yl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 66328661
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
The IUPAC name of 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide (CID 62938598) is 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide.
What is the SMILES notation for 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
The canonical SMILES for 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide is [H]/N=C(\N)CCN(c1nccn(CC)c1=O)C(C)C.
What is the InChIKey of 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
The InChIKey is DTHLHYSZKBUENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-16-8-6-15-11(12(16)18)17(9(2)3)7-5-10(13)14/h6,8-9H,4-5,7H2,1-3H3,(H3,13,14).
What are the key properties of 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide?
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide has a molecular weight of 251.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 62938598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).