methyl formate;1,3,5-triazine-2,4,6-triamine

C5H10N6O2 — CID 174808807

IUPACmethyl formate;1,3,5-triazine-2,4,6-triamine
SMILESCOC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;1-4-2-3/h(H6,4,5,6,7,8,9);2H,1H3
InChIKeySFEFMGINJJMUCO-UHFFFAOYSA-N
MW186.18 g/mol
LogP-1.59
Rot. Bonds1

About methyl formate;1,3,5-triazine-2,4,6-triamine

methyl formate;1,3,5-triazine-2,4,6-triamine (PubChem CID 174808807) has the molecular formula C5H10N6O2 and a molecular weight of 186.18 g/mol. Its IUPAC name is methyl formate;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namemethyl formate;1,3,5-triazine-2,4,6-triamine
PubChem CID174808807
Molecular FormulaC5H10N6O2
Molecular Weight186.18 g/mol
Exact Mass186.09
IUPAC Namemethyl formate;1,3,5-triazine-2,4,6-triamine
SMILESCOC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;1-4-2-3/h(H6,4,5,6,7,8,9);2H,1H3
InChIKeySFEFMGINJJMUCO-UHFFFAOYSA-N
XLogP-1.59
TPSA143.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Melamine formaldehyde
CID 93374
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
Formic acid, compd. with 1,3,5-triazine-2,4,6-triamine (1:1)
CID 174889
Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
Azane;formaldehyde;1,3,5-triazine-2,4,6-triamine
CID 18398511
Formaldehyde;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 18689247
CID 19890398
CID 19890398
Formaldehyde;methane;1,3,5-triazine-2,4,6-triamine
CID 20569183
formaldehyde;2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 21279630
Methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 23284142
Sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine
CID 23679923
Methoxymethanol;1,3,5-triazine-2,4,6-triamine
CID 66783484

Frequently Asked Questions

What is the IUPAC name of methyl formate;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of methyl formate;1,3,5-triazine-2,4,6-triamine (CID 174808807) is methyl formate;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for methyl formate;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for methyl formate;1,3,5-triazine-2,4,6-triamine is COC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of methyl formate;1,3,5-triazine-2,4,6-triamine?
The InChIKey is SFEFMGINJJMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H4O2/c4-1-7-2(5)9-3(6)8-1;1-4-2-3/h(H6,4,5,6,7,8,9);2H,1H3.
What are the key properties of methyl formate;1,3,5-triazine-2,4,6-triamine?
methyl formate;1,3,5-triazine-2,4,6-triamine has a molecular weight of 186.18 g/mol, XLogP of -1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl formate;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).