4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine

C8H13ClN4 — CID 118932882

IUPAC4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNC1=NC(=NC(=N1)CC)Cl
InChIInChI=1S/C8H13ClN4/c1-3-5-10-8-12-6(4-2)11-7(9)13-8/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyATGZTPQRUMIZMO-UHFFFAOYSA-N
MW200.67 g/mol
LogP3.00
Rot. Bonds4

About 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 118932882) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID118932882
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNC1=NC(=NC(=N1)CC)Cl
InChIInChI=1S/C8H13ClN4/c1-3-5-10-8-12-6(4-2)11-7(9)13-8/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyATGZTPQRUMIZMO-UHFFFAOYSA-N
XLogP3.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine (CID 118932882) is 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine is CCCNC1=NC(=NC(=N1)CC)Cl.
What is the InChIKey of 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is ATGZTPQRUMIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-3-5-10-8-12-6(4-2)11-7(9)13-8/h3-5H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 200.67 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 118932882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).