3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide

C10H16N6 — CID 62683691

IUPAC3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCN(C)CC1
InChIInChI=1S/C10H16N6/c1-15-4-6-16(7-5-15)10-8(9(11)12)13-2-3-14-10/h2-3H,4-7H2,1H3,(H3,11,12)
InChIKeyNVTKIPQXNLNIPF-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.49
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide

3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide (PubChem CID 62683691) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide
PubChem CID62683691
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1CCN(C)CC1
InChIInChI=1S/C10H16N6/c1-15-4-6-16(7-5-15)10-8(9(11)12)13-2-3-14-10/h2-3H,4-7H2,1H3,(H3,11,12)
InChIKeyNVTKIPQXNLNIPF-UHFFFAOYSA-N
XLogP-0.49
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.49
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'}

Analyze 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide (CID 62683691) is 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is NVTKIPQXNLNIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-15-4-6-16(7-5-15)10-8(9(11)12)13-2-3-14-10/h2-3H,4-7H2,1H3,(H3,11,12).
What are the key properties of 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide?
3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 220.28 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62683691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).