ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide

C11H19N7 — CID 649911

IUPACethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide
SMILESCCNc1nc(NC(C)C)nc(N(C#N)CC)n1
InChIInChI=1S/C11H19N7/c1-5-13-9-15-10(14-8(3)4)17-11(16-9)18(6-2)7-12/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyBMYVFEXJRSMHKX-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.43
Rot. Bonds6

About ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide

ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide (PubChem CID 649911) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide.

Molecular Properties

Compound Nameethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide
PubChem CID649911
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Nameethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide
SMILESCCNc1nc(NC(C)C)nc(N(C#N)CC)n1
InChIInChI=1S/C11H19N7/c1-5-13-9-15-10(14-8(3)4)17-11(16-9)18(6-2)7-12/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyBMYVFEXJRSMHKX-UHFFFAOYSA-N
XLogP1.43
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide?
The IUPAC name of ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide (CID 649911) is ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide.
What is the SMILES notation for ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide?
The canonical SMILES for ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide is CCNc1nc(NC(C)C)nc(N(C#N)CC)n1.
What is the InChIKey of ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide?
The InChIKey is BMYVFEXJRSMHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-5-13-9-15-10(14-8(3)4)17-11(16-9)18(6-2)7-12/h8H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide?
ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide has a molecular weight of 249.32 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide is sourced from PubChem (CID 649911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).