ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine

C18H36N10 — CID 142530052

IUPACethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine
SMILESCC.CN1CCN(c2nc(N3CCNCC3)nc(N3CCN(N)CC3)n2)CC1
InChIInChI=1S/C16H30N10.C2H6/c1-22-6-8-24(9-7-22)15-19-14(23-4-2-18-3-5-23)20-16(21-15)25-10-12-26(17)13-11-25;1-2/h18H,2-13,17H2,1H3;1-2H3
InChIKeyPVVVVKIVTGLKBR-UHFFFAOYSA-N
MW392.56 g/mol
LogP-0.95
Rot. Bonds3

About ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine

ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine (PubChem CID 142530052) has the molecular formula C18H36N10 and a molecular weight of 392.56 g/mol. Its IUPAC name is ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine.

Molecular Properties

Compound Nameethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine
PubChem CID142530052
Molecular FormulaC18H36N10
Molecular Weight392.56 g/mol
Exact Mass392.31
IUPAC Nameethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine
SMILESCC.CN1CCN(c2nc(N3CCNCC3)nc(N3CCN(N)CC3)n2)CC1
InChIInChI=1S/C16H30N10.C2H6/c1-22-6-8-24(9-7-22)15-19-14(23-4-2-18-3-5-23)20-16(21-15)25-10-12-26(17)13-11-25;1-2/h18H,2-13,17H2,1H3;1-2H3
InChIKeyPVVVVKIVTGLKBR-UHFFFAOYSA-N
XLogP-0.95
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.56
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine?
The IUPAC name of ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine (CID 142530052) is ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine.
What is the SMILES notation for ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine?
The canonical SMILES for ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine is CC.CN1CCN(c2nc(N3CCNCC3)nc(N3CCN(N)CC3)n2)CC1.
What is the InChIKey of ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine?
The InChIKey is PVVVVKIVTGLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N10.C2H6/c1-22-6-8-24(9-7-22)15-19-14(23-4-2-18-3-5-23)20-16(21-15)25-10-12-26(17)13-11-25;1-2/h18H,2-13,17H2,1H3;1-2H3.
What are the key properties of ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine?
ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine has a molecular weight of 392.56 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(4-methylpiperazin-1-yl)-6-piperazin-1-yl-1,3,5-triazin-2-yl]piperazin-1-amine is sourced from PubChem (CID 142530052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).