N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine

C17H22N6 — CID 89322849

IUPACN-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine
SMILESCN/N=C(/C)c1cccc(-c2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C17H22N6/c1-13(22-18-2)14-4-3-5-15(10-14)16-11-20-12-17(21-16)23-8-6-19-7-9-23/h3-5,10-12,18-19H,6-9H2,1-2H3/b22-13-
InChIKeyKKUBQNHOINWBRC-XKZIYDEJSA-N
MW310.41 g/mol
LogP1.50
Rot. Bonds4

About N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine

N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine (PubChem CID 89322849) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine.

Molecular Properties

Compound NameN-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine
PubChem CID89322849
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine
SMILESCN/N=C(/C)c1cccc(-c2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C17H22N6/c1-13(22-18-2)14-4-3-5-15(10-14)16-11-20-12-17(21-16)23-8-6-19-7-9-23/h3-5,10-12,18-19H,6-9H2,1-2H3/b22-13-
InChIKeyKKUBQNHOINWBRC-XKZIYDEJSA-N
XLogP1.50
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine?
The IUPAC name of N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine (CID 89322849) is N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine.
What is the SMILES notation for N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine?
The canonical SMILES for N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine is CN/N=C(/C)c1cccc(-c2cncc(N3CCNCC3)n2)c1.
What is the InChIKey of N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine?
The InChIKey is KKUBQNHOINWBRC-XKZIYDEJSA-N. The full InChI is InChI=1S/C17H22N6/c1-13(22-18-2)14-4-3-5-15(10-14)16-11-20-12-17(21-16)23-8-6-19-7-9-23/h3-5,10-12,18-19H,6-9H2,1-2H3/b22-13-.
What are the key properties of N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine?
N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine has a molecular weight of 310.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(6-piperazin-1-ylpyrazin-2-yl)phenyl]ethylideneamino]methanamine is sourced from PubChem (CID 89322849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).