ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane

C24H48N8 — CID 143269854

IUPACethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CCC.NNc1ccc(-c2nnc(N)c(N3CCNCC3)n2)cc1
InChIInChI=1S/C13H18N8.C4H10.C3H8.2C2H6/c14-11-13(21-7-5-16-6-8-21)17-12(20-19-11)9-1-3-10(18-15)4-2-9;1-4(2)3;1-3-2;2*1-2/h1-4,16,18H,5-8,15H2,(H2,14,19);4H,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyKOCBVCRNAKTIAK-UHFFFAOYSA-N
MW448.70 g/mol
LogP4.95
Rot. Bonds3

About ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane

ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane (PubChem CID 143269854) has the molecular formula C24H48N8 and a molecular weight of 448.70 g/mol. Its IUPAC name is ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane.

Molecular Properties

Compound Nameethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane
PubChem CID143269854
Molecular FormulaC24H48N8
Molecular Weight448.70 g/mol
Exact Mass448.40
IUPAC Nameethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane
SMILESCC.CC.CC(C)C.CCC.NNc1ccc(-c2nnc(N)c(N3CCNCC3)n2)cc1
InChIInChI=1S/C13H18N8.C4H10.C3H8.2C2H6/c14-11-13(21-7-5-16-6-8-21)17-12(20-19-11)9-1-3-10(18-15)4-2-9;1-4(2)3;1-3-2;2*1-2/h1-4,16,18H,5-8,15H2,(H2,14,19);4H,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyKOCBVCRNAKTIAK-UHFFFAOYSA-N
XLogP4.95
TPSA118.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.70
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane?
The IUPAC name of ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane (CID 143269854) is ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane.
What is the SMILES notation for ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane?
The canonical SMILES for ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane is CC.CC.CC(C)C.CCC.NNc1ccc(-c2nnc(N)c(N3CCNCC3)n2)cc1.
What is the InChIKey of ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane?
The InChIKey is KOCBVCRNAKTIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8.C4H10.C3H8.2C2H6/c14-11-13(21-7-5-16-6-8-21)17-12(20-19-11)9-1-3-10(18-15)4-2-9;1-4(2)3;1-3-2;2*1-2/h1-4,16,18H,5-8,15H2,(H2,14,19);4H,1-3H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane?
ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane has a molecular weight of 448.70 g/mol, XLogP of 4.95, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-hydrazinylphenyl)-5-piperazin-1-yl-1,2,4-triazin-6-amine;2-methylpropane;propane is sourced from PubChem (CID 143269854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).