4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine

C13H17N7 — CID 135218519

IUPAC4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine
SMILES[H]/N=c1/c(N2CCN(C)CC2)nc2cccnc2n1/C=N/[H]
InChIInChI=1S/C13H17N7/c1-18-5-7-19(8-6-18)13-11(15)20(9-14)12-10(17-13)3-2-4-16-12/h2-4,9,14-15H,5-8H2,1H3/b14-9+,15-11-
InChIKeyXELXPZDPLMAJSP-PVMFERMNSA-N
MW271.33 g/mol
LogP0.12
Rot. Bonds2

About 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine

4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine (PubChem CID 135218519) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine.

Molecular Properties

Compound Name4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine
PubChem CID135218519
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine
SMILES[H]/N=c1/c(N2CCN(C)CC2)nc2cccnc2n1/C=N/[H]
InChIInChI=1S/C13H17N7/c1-18-5-7-19(8-6-18)13-11(15)20(9-14)12-10(17-13)3-2-4-16-12/h2-4,9,14-15H,5-8H2,1H3/b14-9+,15-11-
InChIKeyXELXPZDPLMAJSP-PVMFERMNSA-N
XLogP0.12
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine?
The IUPAC name of 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine (CID 135218519) is 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine.
What is the SMILES notation for 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine?
The canonical SMILES for 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine is [H]/N=c1/c(N2CCN(C)CC2)nc2cccnc2n1/C=N/[H].
What is the InChIKey of 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine?
The InChIKey is XELXPZDPLMAJSP-PVMFERMNSA-N. The full InChI is InChI=1S/C13H17N7/c1-18-5-7-19(8-6-18)13-11(15)20(9-14)12-10(17-13)3-2-4-16-12/h2-4,9,14-15H,5-8H2,1H3/b14-9+,15-11-.
What are the key properties of 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine?
4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine has a molecular weight of 271.33 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-imine is sourced from PubChem (CID 135218519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).