N,1,4-triphenyl-1,2,4-triazinan-3-imine

C21H20N4 — CID 137242858

IUPACN,1,4-triphenyl-1,2,4-triazinan-3-imine
SMILESc1ccc(/N=C2\NN(c3ccccc3)CCN2c2ccccc2)cc1
InChIInChI=1S/C21H20N4/c1-4-10-18(11-5-1)22-21-23-25(20-14-8-3-9-15-20)17-16-24(21)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)
InChIKeyUULAUDJZMYRSDJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.21
Rot. Bonds3

About N,1,4-triphenyl-1,2,4-triazinan-3-imine

N,1,4-triphenyl-1,2,4-triazinan-3-imine (PubChem CID 137242858) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N,1,4-triphenyl-1,2,4-triazinan-3-imine.

Molecular Properties

Compound NameN,1,4-triphenyl-1,2,4-triazinan-3-imine
PubChem CID137242858
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN,1,4-triphenyl-1,2,4-triazinan-3-imine
SMILESc1ccc(/N=C2\NN(c3ccccc3)CCN2c2ccccc2)cc1
InChIInChI=1S/C21H20N4/c1-4-10-18(11-5-1)22-21-23-25(20-14-8-3-9-15-20)17-16-24(21)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)
InChIKeyUULAUDJZMYRSDJ-UHFFFAOYSA-N
XLogP4.21
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 146681754
CID 146681754
4-methyl-1-phenyl-1,2,4-triazinan-3-one
CID 10750236
sodium;1-phenylpyrazolidin-3-one;bromide
CID 157299139
1-N,3-N,2-triphenylisoindole-1,3-diimine
CID 10785572
1-phenyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)pyrazolidin-3-imine
CID 135456863
dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite
CID 70251505
dipotassium;1-phenylpyrazolidin-3-one;sulfite
CID 70251509
4-benzyl-1-phenyl-1,2,4-triazinan-3-one
CID 10587904
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
4-methyl-1-phenyl-1,2,4-triazinane
CID 169115311
23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene
CID 134428142
3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one
CID 154246141

Frequently Asked Questions

What is the IUPAC name of N,1,4-triphenyl-1,2,4-triazinan-3-imine?
The IUPAC name of N,1,4-triphenyl-1,2,4-triazinan-3-imine (CID 137242858) is N,1,4-triphenyl-1,2,4-triazinan-3-imine.
What is the SMILES notation for N,1,4-triphenyl-1,2,4-triazinan-3-imine?
The canonical SMILES for N,1,4-triphenyl-1,2,4-triazinan-3-imine is c1ccc(/N=C2\NN(c3ccccc3)CCN2c2ccccc2)cc1.
What is the InChIKey of N,1,4-triphenyl-1,2,4-triazinan-3-imine?
The InChIKey is UULAUDJZMYRSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-4-10-18(11-5-1)22-21-23-25(20-14-8-3-9-15-20)17-16-24(21)19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23).
What are the key properties of N,1,4-triphenyl-1,2,4-triazinan-3-imine?
N,1,4-triphenyl-1,2,4-triazinan-3-imine has a molecular weight of 328.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,4-triphenyl-1,2,4-triazinan-3-imine is sourced from PubChem (CID 137242858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).