2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine

C19H25N5 — CID 71025146

IUPAC2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESC/C=c1/cccc/c1=C/C(C)c1ncnc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H25N5/c1-4-16-7-5-6-8-17(16)13-15(2)18-20-14-21-19(22-18)24-11-9-23(3)10-12-24/h4-8,13-15H,9-12H2,1-3H3/b16-4-,17-13-
InChIKeyGKGNUZYSUMMHLH-HDQHEUERSA-N
MW323.44 g/mol
LogP1.01
Rot. Bonds3

About 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine

2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 71025146) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
PubChem CID71025146
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
SMILESC/C=c1/cccc/c1=C/C(C)c1ncnc(N2CCN(C)CC2)n1
InChIInChI=1S/C19H25N5/c1-4-16-7-5-6-8-17(16)13-15(2)18-20-14-21-19(22-18)24-11-9-23(3)10-12-24/h4-8,13-15H,9-12H2,1-3H3/b16-4-,17-13-
InChIKeyGKGNUZYSUMMHLH-HDQHEUERSA-N
XLogP1.01
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine (CID 71025146) is 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is C/C=c1/cccc/c1=C/C(C)c1ncnc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is GKGNUZYSUMMHLH-HDQHEUERSA-N. The full InChI is InChI=1S/C19H25N5/c1-4-16-7-5-6-8-17(16)13-15(2)18-20-14-21-19(22-18)24-11-9-23(3)10-12-24/h4-8,13-15H,9-12H2,1-3H3/b16-4-,17-13-.
What are the key properties of 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine?
2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 323.44 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propan-2-yl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 71025146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).