formyl cyanide;1,3,5-triazine-2,4,6-triamine

C5H7N7O — CID 175434728

IUPACformyl cyanide;1,3,5-triazine-2,4,6-triamine
SMILESN#CC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2HNO/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);2H
InChIKeyUIGLXHIBASSVAJ-UHFFFAOYSA-N
MW181.16 g/mol
LogP-1.67
Rot. Bonds

About formyl cyanide;1,3,5-triazine-2,4,6-triamine

formyl cyanide;1,3,5-triazine-2,4,6-triamine (PubChem CID 175434728) has the molecular formula C5H7N7O and a molecular weight of 181.16 g/mol. Its IUPAC name is formyl cyanide;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformyl cyanide;1,3,5-triazine-2,4,6-triamine
PubChem CID175434728
Molecular FormulaC5H7N7O
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Nameformyl cyanide;1,3,5-triazine-2,4,6-triamine
SMILESN#CC=O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2HNO/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);2H
InChIKeyUIGLXHIBASSVAJ-UHFFFAOYSA-N
XLogP-1.67
TPSA157.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Melamine glyoxal
CID 19836238
Acetaldehyde;1,3,5-triazine-2,4,6-triamine
CID 89157509
Oxaldehyde;1,3,5-triazine-2,4,6-triamine;urea
CID 158889830
Formaldehyde;oxaldehyde;1,3,5-triazine-2,4,6-triamine
CID 160077978
Propanal;1,3,5-triazine-2,4,6-triamine
CID 160300368
2-[[4-Amino-6-(cyanomethoxy)-1,3,5-triazin-2-yl]oxy]acetonitrile
CID 3125395

Frequently Asked Questions

What is the IUPAC name of formyl cyanide;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formyl cyanide;1,3,5-triazine-2,4,6-triamine (CID 175434728) is formyl cyanide;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formyl cyanide;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formyl cyanide;1,3,5-triazine-2,4,6-triamine is N#CC=O.Nc1nc(N)nc(N)n1.
What is the InChIKey of formyl cyanide;1,3,5-triazine-2,4,6-triamine?
The InChIKey is UIGLXHIBASSVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2HNO/c4-1-7-2(5)9-3(6)8-1;3-1-2-4/h(H6,4,5,6,7,8,9);2H.
What are the key properties of formyl cyanide;1,3,5-triazine-2,4,6-triamine?
formyl cyanide;1,3,5-triazine-2,4,6-triamine has a molecular weight of 181.16 g/mol, XLogP of -1.67, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formyl cyanide;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 175434728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).