[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide

C10H17N7O — CID 619687

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide
SMILESCOCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H17N7O/c1-15(2)8-12-9(16(3)4)14-10(13-8)17(6-11)7-18-5/h7H2,1-5H3
InChIKeyJRSOWTQYJYQYLD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.11
Rot. Bonds5

About [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide (PubChem CID 619687) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide
PubChem CID619687
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide
SMILESCOCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H17N7O/c1-15(2)8-12-9(16(3)4)14-10(13-8)17(6-11)7-18-5/h7H2,1-5H3
InChIKeyJRSOWTQYJYQYLD-UHFFFAOYSA-N
XLogP-0.11
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide (CID 619687) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide is COCN(C#N)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide?
The InChIKey is JRSOWTQYJYQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-15(2)8-12-9(16(3)4)14-10(13-8)17(6-11)7-18-5/h7H2,1-5H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide has a molecular weight of 251.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)cyanamide is sourced from PubChem (CID 619687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).