2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H22N4S — CID 64650692

IUPAC2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2CCC1Sc1nncn1C
InChIInChI=1S/C16H22N4S/c1-3-10-17-15-13-7-5-4-6-12(13)8-9-14(15)21-16-19-18-11-20(16)2/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyFTMDHESKVWFTSW-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.96
Rot. Bonds5

About 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64650692) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64650692
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1c2ccccc2CCC1Sc1nncn1C
InChIInChI=1S/C16H22N4S/c1-3-10-17-15-13-7-5-4-6-12(13)8-9-14(15)21-16-19-18-11-20(16)2/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyFTMDHESKVWFTSW-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64650430
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628649
N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64648417
2-prop-2-enylsulfanyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114272345
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628444
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107784035
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927305
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
2-(cyclopentylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403595
6-hexyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403821

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64650692) is 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1c2ccccc2CCC1Sc1nncn1C.
What is the InChIKey of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FTMDHESKVWFTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-3-10-17-15-13-7-5-4-6-12(13)8-9-14(15)21-16-19-18-11-20(16)2/h4-7,11,14-15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 302.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64650692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).