(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide

C17H19N5O2 — CID 135411319

IUPAC(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide
SMILESO=[N+]([O-])/N=C1/NCN(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H19N5O2/c23-22(24)19-17-18-13-20(11-15-7-3-1-4-8-15)14-21(17)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyWYCSQVFVBVTWRQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.06
Rot. Bonds5

About (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide

(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide (PubChem CID 135411319) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide.

Molecular Properties

Compound Name(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide
PubChem CID135411319
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide
SMILESO=[N+]([O-])/N=C1/NCN(Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C17H19N5O2/c23-22(24)19-17-18-13-20(11-15-7-3-1-4-8-15)14-21(17)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyWYCSQVFVBVTWRQ-UHFFFAOYSA-N
XLogP2.06
TPSA74.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-benzyl-1-(oxolan-3-ylmethyl)-1,3,5-triazinan-2-ylidene]nitramide
CID 139743739
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-prop-2-enyl-1,3,5-triazinan-2-ylidene]nitramide
CID 135686632
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-propan-2-yl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778493
(NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide
CID 135727121
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778494
1-benzyl-1,3-diazetidine
CID 67702530
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;propan-2-one
CID 136598165
3-benzyl-1,5-dinitro-3-azabicyclo[3.3.1]nonan-7-one
CID 4177416
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 874059
(3S,4R)-1-benzyl-3-(4-fluorophenyl)-4-nitropyrrolidine
CID 10447515
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-thiadiazinan-4-ylidene]nitramide
CID 177454770

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide?
The IUPAC name of (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide (CID 135411319) is (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide.
What is the SMILES notation for (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide?
The canonical SMILES for (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide is O=[N+]([O-])/N=C1/NCN(Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide?
The InChIKey is WYCSQVFVBVTWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-22(24)19-17-18-13-20(11-15-7-3-1-4-8-15)14-21(17)12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide?
(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide has a molecular weight of 325.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide is sourced from PubChem (CID 135411319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).