6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine

C11H19N9 — CID 767982

IUPAC6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC(C)C)nc(N(C)n2cnnc2)n1
InChIInChI=1S/C11H19N9/c1-5-12-9-16-10(15-8(2)3)18-11(17-9)19(4)20-6-13-14-7-20/h6-8H,5H2,1-4H3,(H2,12,15,16,17,18)
InChIKeyIKATXSNUCPRIOG-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.61
Rot. Bonds6

About 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine

6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 767982) has the molecular formula C11H19N9 and a molecular weight of 277.34 g/mol. Its IUPAC name is 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID767982
Molecular FormulaC11H19N9
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC Name6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NC(C)C)nc(N(C)n2cnnc2)n1
InChIInChI=1S/C11H19N9/c1-5-12-9-16-10(15-8(2)3)18-11(17-9)19(4)20-6-13-14-7-20/h6-8H,5H2,1-4H3,(H2,12,15,16,17,18)
InChIKeyIKATXSNUCPRIOG-UHFFFAOYSA-N
XLogP0.61
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 767982) is 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NC(C)C)nc(N(C)n2cnnc2)n1.
What is the InChIKey of 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IKATXSNUCPRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9/c1-5-12-9-16-10(15-8(2)3)18-11(17-9)19(4)20-6-13-14-7-20/h6-8H,5H2,1-4H3,(H2,12,15,16,17,18).
What are the key properties of 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 277.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-methyl-4-N-propan-2-yl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 767982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).