3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide

C10H17N5O — CID 62940592

IUPAC3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1nccn(C)c1=O
InChIInChI=1S/C10H17N5O/c1-3-15(6-4-8(11)12)9-10(16)14(2)7-5-13-9/h5,7H,3-4,6H2,1-2H3,(H3,11,12)
InChIKeyKBTICZMQSNPMRG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.07
Rot. Bonds5

About 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide

3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide (PubChem CID 62940592) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
PubChem CID62940592
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)c1nccn(C)c1=O
InChIInChI=1S/C10H17N5O/c1-3-15(6-4-8(11)12)9-10(16)14(2)7-5-13-9/h5,7H,3-4,6H2,1-2H3,(H3,11,12)
InChIKeyKBTICZMQSNPMRG-UHFFFAOYSA-N
XLogP-0.07
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.07
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-[2-methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 62939297
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938598
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
N'-hydroxy-3-[(4-methyl-3-oxopyrazin-2-yl)-(2-methylpropyl)amino]propanimidamide
CID 76981244
3-[(4-tert-butyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938766
3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 62940454
3-[ethyl-(5-iodopyrimidin-4-yl)amino]propanimidamide
CID 66343211
3-[(5-bromo-3-chloro-2-pyridinyl)-ethylamino]propanimidamide
CID 103582333
3-[2-hydroxyethyl(methyl)amino]-1-methylpyrazin-2-one
CID 62940803

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide?
The IUPAC name of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide (CID 62940592) is 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)c1nccn(C)c1=O.
What is the InChIKey of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide?
The InChIKey is KBTICZMQSNPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-15(6-4-8(11)12)9-10(16)14(2)7-5-13-9/h5,7H,3-4,6H2,1-2H3,(H3,11,12).
What are the key properties of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide?
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide has a molecular weight of 223.28 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanimidamide is sourced from PubChem (CID 62940592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).