N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine

C20H29N5 — CID 135604628

IUPACN-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine
SMILESCCCCCCCCCC/N=C1\NNc2cnc3ccccc3c2N1
InChIInChI=1S/C20H29N5/c1-2-3-4-5-6-7-8-11-14-21-20-23-19-16-12-9-10-13-17(16)22-15-18(19)24-25-20/h9-10,12-13,15,24H,2-8,11,14H2,1H3,(H2,21,23,25)
InChIKeyADSRXSVFHIZOQW-UHFFFAOYSA-N
MW339.49 g/mol
LogP5.07
Rot. Bonds9

About N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine

N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine (PubChem CID 135604628) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine.

Molecular Properties

Compound NameN-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine
PubChem CID135604628
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine
SMILESCCCCCCCCCC/N=C1\NNc2cnc3ccccc3c2N1
InChIInChI=1S/C20H29N5/c1-2-3-4-5-6-7-8-11-14-21-20-23-19-16-12-9-10-13-17(16)22-15-18(19)24-25-20/h9-10,12-13,15,24H,2-8,11,14H2,1H3,(H2,21,23,25)
InChIKeyADSRXSVFHIZOQW-UHFFFAOYSA-N
XLogP5.07
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine?
The IUPAC name of N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine (CID 135604628) is N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine.
What is the SMILES notation for N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine?
The canonical SMILES for N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine is CCCCCCCCCC/N=C1\NNc2cnc3ccccc3c2N1.
What is the InChIKey of N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine?
The InChIKey is ADSRXSVFHIZOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-2-3-4-5-6-7-8-11-14-21-20-23-19-16-12-9-10-13-17(16)22-15-18(19)24-25-20/h9-10,12-13,15,24H,2-8,11,14H2,1H3,(H2,21,23,25).
What are the key properties of N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine?
N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine has a molecular weight of 339.49 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine is sourced from PubChem (CID 135604628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).