3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide

C11H19N5 — CID 83064371

IUPAC3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1nccnc1C
InChIInChI=1S/C11H19N5/c1-4-16(7-8(2)10(12)13)11-9(3)14-5-6-15-11/h5-6,8H,4,7H2,1-3H3,(H3,12,13)
InChIKeyZVONRKHAENJMNN-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.18
Rot. Bonds5

About 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide

3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide (PubChem CID 83064371) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide
PubChem CID83064371
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1nccnc1C
InChIInChI=1S/C11H19N5/c1-4-16(7-8(2)10(12)13)11-9(3)14-5-6-15-11/h5-6,8H,4,7H2,1-3H3,(H3,12,13)
InChIKeyZVONRKHAENJMNN-UHFFFAOYSA-N
XLogP1.18
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-Amino-3-methylpyrazine
CID 302284
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
5,6-Dimethylpyrazin-2-amine
CID 222763
N,3-Dimethylpyrazin-2-amine
CID 44327445
N,N,3-Trimethylpyrazin-2-amine
CID 44327689
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
N,6-dimethylpyrazin-2-amine
CID 55286460
3-Methylpyrazin-2-amine hydrochloride
CID 137701474

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide (CID 83064371) is 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)c1nccnc1C.
What is the InChIKey of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide?
The InChIKey is ZVONRKHAENJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-4-16(7-8(2)10(12)13)11-9(3)14-5-6-15-11/h5-6,8H,4,7H2,1-3H3,(H3,12,13).
What are the key properties of 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide?
3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide has a molecular weight of 221.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methylpyrazin-2-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 83064371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).