[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine

C13H17N5S — CID 104603462

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
SMILESCn1ncnc1Sc1nc2c(cc1CN)CCCC2
InChIInChI=1S/C13H17N5S/c1-18-13(15-8-16-18)19-12-10(7-14)6-9-4-2-3-5-11(9)17-12/h6,8H,2-5,7,14H2,1H3
InChIKeyADBXRVJMMAKYAJ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.70
Rot. Bonds3

About [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine

[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine (PubChem CID 104603462) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
PubChem CID104603462
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
SMILESCn1ncnc1Sc1nc2c(cc1CN)CCCC2
InChIInChI=1S/C13H17N5S/c1-18-13(15-8-16-18)19-12-10(7-14)6-9-4-2-3-5-11(9)17-12/h6,8H,2-5,7,14H2,1H3
InChIKeyADBXRVJMMAKYAJ-UHFFFAOYSA-N
XLogP1.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine 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

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104603070
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-3-yl]methanamine
CID 104603486
[2-(1H-imidazol-2-ylsulfanyl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 114000829
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 102925288
3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-(trifluoromethyl)phenyl]methanamine
CID 104603478
(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 63457909
[2-(3,3,4-trimethylpiperazin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 63604653
[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 114459755
4-[3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-yl]piperazine-2,6-dione
CID 66085814
3-(aminomethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104913

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine (CID 104603462) is [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine is Cn1ncnc1Sc1nc2c(cc1CN)CCCC2.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
The InChIKey is ADBXRVJMMAKYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-18-13(15-8-16-18)19-12-10(7-14)6-9-4-2-3-5-11(9)17-12/h6,8H,2-5,7,14H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine?
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine has a molecular weight of 275.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine is sourced from PubChem (CID 104603462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).