4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine

C13H20ClN5 — CID 82752307

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C13H20ClN5/c1-2-15-12-16-11(14)17-13(18-12)19-8-7-9-5-3-4-6-10(9)19/h9-10H,2-8H2,1H3,(H,15,16,17,18)
InChIKeyHSUCEPZWRHJQQL-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.73
Rot. Bonds3

About 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 82752307) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
PubChem CID82752307
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(N2CCC3CCCCC32)n1
InChIInChI=1S/C13H20ClN5/c1-2-15-12-16-11(14)17-13(18-12)19-8-7-9-5-3-4-6-10(9)19/h9-10H,2-8H2,1H3,(H,15,16,17,18)
InChIKeyHSUCEPZWRHJQQL-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-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

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 82752442
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 82752450
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
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
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide
CID 80805665
4-chloro-N-ethyl-6-[4-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80846867
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine (CID 82752307) is 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(N2CCC3CCCCC32)n1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is HSUCEPZWRHJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-2-15-12-16-11(14)17-13(18-12)19-8-7-9-5-3-4-6-10(9)19/h9-10H,2-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).