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

C10H13N5O2 — CID 135727121

IUPAC(NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide
SMILESCN1CN(c2ccccc2)CN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C10H13N5O2/c1-13-8-14(9-5-3-2-4-6-9)7-11-10(13)12-15(16)17/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyYQDWAIGOFXLMHU-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.49
Rot. Bonds2

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

(NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide (PubChem CID 135727121) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide.

Molecular Properties

Compound Name(NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide
PubChem CID135727121
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name(NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide
SMILESCN1CN(c2ccccc2)CN/C1=N/[N+](=O)[O-]
InChIInChI=1S/C10H13N5O2/c1-13-8-14(9-5-3-2-4-6-9)7-11-10(13)12-15(16)17/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyYQDWAIGOFXLMHU-UHFFFAOYSA-N
XLogP0.49
TPSA74.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.49
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

(NE)-N-[1-methyl-5-(4-nitrophenyl)-1,3,5-triazinan-2-ylidene]nitramide
CID 135419935
(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide
CID 135411319
(NZ)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778494
N-[5-benzyl-1-(oxolan-3-ylmethyl)-1,3,5-triazinan-2-ylidene]nitramide
CID 139743739
N-[5-(furan-2-ylmethyl)-1-phenyl-1,3,5-triazinan-5-ium-2-ylidene]nitramide
CID 135462687
N-[1-(4-nitrophenyl)imidazolidin-2-ylidene]nitramide
CID 152747111
(NZ)-N-[1-[(2-methylphenyl)iminomethyl]imidazolidin-2-ylidene]nitramide
CID 135773311
N-(1,1,3,3-tetramethylinden-2-ylidene)nitramide
CID 13272691
(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 172949263
3-nitro-1-phenylpyrrolidine
CID 154333997
azanium nitrobenzene
CID 22989049
(NZ)-N-[1-[(6-chloro-3-pyridinyl)methyl]-5-propan-2-yl-1,3,5-triazinan-2-ylidene]nitramide
CID 135778493

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide?
The IUPAC name of (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide (CID 135727121) is (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide.
What is the SMILES notation for (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide?
The canonical SMILES for (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide is CN1CN(c2ccccc2)CN/C1=N/[N+](=O)[O-].
What is the InChIKey of (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide?
The InChIKey is YQDWAIGOFXLMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-13-8-14(9-5-3-2-4-6-9)7-11-10(13)12-15(16)17/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide?
(NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide has a molecular weight of 235.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-methyl-5-phenyl-1,3,5-triazinan-2-ylidene)nitramide is sourced from PubChem (CID 135727121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).