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

C10H13ClN8 — CID 80843798

IUPAC4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H13ClN8/c1-2-12-9-14-8(11)15-10(16-9)18-3-4-19-6-13-17-7(19)5-18/h6H,2-5H2,1H3,(H,12,14,15,16)
InChIKeyXYUTUUNQOQASQC-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.57
Rot. Bonds3

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

4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80843798) has the molecular formula C10H13ClN8 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-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-ethyl-1,3,5-triazin-2-amine
PubChem CID80843798
Molecular FormulaC10H13ClN8
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C10H13ClN8/c1-2-12-9-14-8(11)15-10(16-9)18-3-4-19-6-13-17-7(19)5-18/h6H,2-5H2,1H3,(H,12,14,15,16)
InChIKeyXYUTUUNQOQASQC-UHFFFAOYSA-N
XLogP0.57
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80825850
5-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80843997
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-1-methyl-1,4-diazepan-2-one
CID 102887796
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
4-chloro-N-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746672
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867

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-ethyl-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-ethyl-1,3,5-triazin-2-amine (CID 80843798) is 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-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-ethyl-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-ethyl-1,3,5-triazin-2-amine is CCNc1nc(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-ethyl-1,3,5-triazin-2-amine?
The InChIKey is XYUTUUNQOQASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN8/c1-2-12-9-14-8(11)15-10(16-9)18-3-4-19-6-13-17-7(19)5-18/h6H,2-5H2,1H3,(H,12,14,15,16).
What are the key properties of 4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 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-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80843798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).