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

C9H15N7 — CID 826229

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide
SMILESCN(C)c1nc(N(C)C)nc(N(C)C#N)n1
InChIInChI=1S/C9H15N7/c1-14(2)7-11-8(15(3)4)13-9(12-7)16(5)6-10/h1-5H3
InChIKeyZVQRPCWWIOOSQX-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.08
Rot. Bonds3

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide (PubChem CID 826229) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide
PubChem CID826229
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide
SMILESCN(C)c1nc(N(C)C)nc(N(C)C#N)n1
InChIInChI=1S/C9H15N7/c1-14(2)7-11-8(15(3)4)13-9(12-7)16(5)6-10/h1-5H3
InChIKeyZVQRPCWWIOOSQX-UHFFFAOYSA-N
XLogP-0.08
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
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-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide (CID 826229) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide is CN(C)c1nc(N(C)C)nc(N(C)C#N)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
The InChIKey is ZVQRPCWWIOOSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-14(2)7-11-8(15(3)4)13-9(12-7)16(5)6-10/h1-5H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide has a molecular weight of 221.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide is sourced from PubChem (CID 826229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).