6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

C9H16ClN5 — CID 15951

IUPAC6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyHFBWPRKWDIRYNX-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.80
Rot. Bonds5

About 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (PubChem CID 15951) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
PubChem CID15951
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyHFBWPRKWDIRYNX-UHFFFAOYSA-N
XLogP1.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (CID 15951) is 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HFBWPRKWDIRYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-4-11-8-12-7(10)13-9(14-8)15(5-2)6-3/h4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).