isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine

C6H11N7O2 — CID 88770040

IUPACisocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine
SMILESCOCN=C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H5NO2/c4-1-7-2(5)9-3(6)8-1;1-6-3-4-2-5/h(H6,4,5,6,7,8,9);3H2,1H3
InChIKeyACYWAHWHBUNPRB-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.46
Rot. Bonds2

About isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine

isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine (PubChem CID 88770040) has the molecular formula C6H11N7O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameisocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine
PubChem CID88770040
Molecular FormulaC6H11N7O2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameisocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine
SMILESCOCN=C=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H5NO2/c4-1-7-2(5)9-3(6)8-1;1-6-3-4-2-5/h(H6,4,5,6,7,8,9);3H2,1H3
InChIKeyACYWAHWHBUNPRB-UHFFFAOYSA-N
XLogP-1.46
TPSA155.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Melamine formaldehyde
CID 93374
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
6-Methoxyguanamine
CID 17803
Urea, polymer with formaldehyde and 1,3,5-triazine-2,4,6-triamine
CID 168250
DiMMM
CID 19596820
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
Hmmm TP243
CID 156601176
Formaldehyde;1,3,5-triazine-2,4,6-triamine;urea;hydrochloride
CID 6454242
N-Hydroxy-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 71443744
2-Dimethylamino-4,6-dimethoxy-s-triazine
CID 12525922
Melamine formamide
CID 23023290
4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
CID 35017

Frequently Asked Questions

What is the IUPAC name of isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine (CID 88770040) is isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine is COCN=C=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is ACYWAHWHBUNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H5NO2/c4-1-7-2(5)9-3(6)8-1;1-6-3-4-2-5/h(H6,4,5,6,7,8,9);3H2,1H3.
What are the key properties of isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine?
isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 213.20 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 88770040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).