4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine

C12H17ClN8 — CID 64575281

IUPAC4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C12H17ClN8/c1-3-19(4-2)11-15-10(13)16-12(17-11)20-5-6-21-8-14-18-9(21)7-20/h8H,3-7H2,1-2H3
InChIKeyAJXCYQXYRWUAID-UHFFFAOYSA-N
MW308.78 g/mol
LogP0.98
Rot. Bonds4

About 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 64575281) has the molecular formula C12H17ClN8 and a molecular weight of 308.78 g/mol. Its IUPAC name is 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID64575281
Molecular FormulaC12H17ClN8
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC Name4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C12H17ClN8/c1-3-19(4-2)11-15-10(13)16-12(17-11)20-5-6-21-8-14-18-9(21)7-20/h8H,3-7H2,1-2H3
InChIKeyAJXCYQXYRWUAID-UHFFFAOYSA-N
XLogP0.98
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine (CID 64575281) is 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCn3cnnc3C2)n1.
What is the InChIKey of 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is AJXCYQXYRWUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN8/c1-3-19(4-2)11-15-10(13)16-12(17-11)20-5-6-21-8-14-18-9(21)7-20/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 308.78 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 64575281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).