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

C5H8ClN5 — CID 13878

IUPAC6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
InChIKeyIVENSCMCQBJAKW-UHFFFAOYSA-N
MW173.61 g/mol
LogP0.54
Rot. Bonds2

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

6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 13878) has the molecular formula C5H8ClN5 and a molecular weight of 173.61 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID13878
Molecular FormulaC5H8ClN5
Molecular Weight173.61 g/mol
Exact Mass173.05
IUPAC Name6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
InChIKeyIVENSCMCQBJAKW-UHFFFAOYSA-N
XLogP0.54
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.61
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine (CID 13878) is 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IVENSCMCQBJAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11).
What are the key properties of 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 173.61 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).