(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide

C6H6N5O2- — CID 140843052

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide
SMILESCOc1nc(N=C=[N-])nc(OC)n1
InChIInChI=1S/C6H6N5O2/c1-12-5-9-4(8-3-7)10-6(11-5)13-2/h1-2H3/q-1
InChIKeyCGUCGCZSAAIHDI-UHFFFAOYSA-N
MW180.15 g/mol
LogP0.26
Rot. Bonds3

About (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide

(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide (PubChem CID 140843052) has the molecular formula C6H6N5O2- and a molecular weight of 180.15 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide
PubChem CID140843052
Molecular FormulaC6H6N5O2-
Molecular Weight180.15 g/mol
Exact Mass180.05
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide
SMILESCOc1nc(N=C=[N-])nc(OC)n1
InChIInChI=1S/C6H6N5O2/c1-12-5-9-4(8-3-7)10-6(11-5)13-2/h1-2H3/q-1
InChIKeyCGUCGCZSAAIHDI-UHFFFAOYSA-N
XLogP0.26
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4,6-dimethoxy-1,3,5-triazine
CID 18450
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
6-Methoxyguanamine
CID 17803
DiMMM
CID 19596820
(4,6-Dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide
CID 869028
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
2-Azido-4,6-dimethoxy-1,3,5-triazine
CID 35499
4-Chloro-6-methoxy-1,3,5-triazin-2-amine
CID 23689
[1,3,5]Triazine-2,4-diamine, 6-methoxy-N,N,N',N'-tetramethyl-
CID 765383
1-Fluoro-2,4,6-trimethoxy-1,3,5-triazin-1-ium
CID 17827063
2-Fluoro-4,6-dimethoxy-1,3,5-triazine
CID 150249762
4-Fluoro-6-methoxy-1,3,5-triazin-2-amine
CID 55281091

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide (CID 140843052) is (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide is COc1nc(N=C=[N-])nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide?
The InChIKey is CGUCGCZSAAIHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N5O2/c1-12-5-9-4(8-3-7)10-6(11-5)13-2/h1-2H3/q-1.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide?
(4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide has a molecular weight of 180.15 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)iminomethylideneazanide is sourced from PubChem (CID 140843052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).