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

C6H7N5O2 — CID 13420038

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide
SMILESCOc1nc(NC#N)nc(OC)n1
InChIInChI=1S/C6H7N5O2/c1-12-5-9-4(8-3-7)10-6(11-5)13-2/h1-2H3,(H,8,9,10,11)
InChIKeySBMOUWWARBILAJ-UHFFFAOYSA-N
MW181.16 g/mol
LogP-0.22
Rot. Bonds3

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

(4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide (PubChem CID 13420038) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide
PubChem CID13420038
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide
SMILESCOc1nc(NC#N)nc(OC)n1
InChIInChI=1S/C6H7N5O2/c1-12-5-9-4(8-3-7)10-6(11-5)13-2/h1-2H3,(H,8,9,10,11)
InChIKeySBMOUWWARBILAJ-UHFFFAOYSA-N
XLogP-0.22
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide (CID 13420038) is (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide is COc1nc(NC#N)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide?
The InChIKey is SBMOUWWARBILAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-12-5-9-4(8-3-7)10-6(11-5)13-2/h1-2H3,(H,8,9,10,11).
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide?
(4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide has a molecular weight of 181.16 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 13420038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).