4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C8H16N6 — CID 11217811

IUPAC4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C8H16N6/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H4,9,10,11,12,13,14)
InChIKeyWKVBVBLLDKCKBT-UHFFFAOYSA-N
MW196.26 g/mol
LogP0.71
Rot. Bonds4

About 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 11217811) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID11217811
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(N)nc(NC(C)C)n1
InChIInChI=1S/C8H16N6/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H4,9,10,11,12,13,14)
InChIKeyWKVBVBLLDKCKBT-UHFFFAOYSA-N
XLogP0.71
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 47866
Simazine
CID 5216
Ametryn
CID 13263
Terbuthylazine
CID 22206
Atrazine
CID 2256
Prometon
CID 4928
Prometryn
CID 4929
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Atraton
CID 15359
Terbumeton
CID 36584

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 11217811) is 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(N)nc(NC(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WKVBVBLLDKCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H4,9,10,11,12,13,14).
What are the key properties of 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 196.26 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11217811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).