N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine

C12H17N5S — CID 834553

IUPACN-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(SC)cc1
InChIInChI=1S/C12H17N5S/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14,16)
InChIKeyWUHULPQXLCXLKZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.42
Rot. Bonds6

About N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine

N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine (PubChem CID 834553) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine
PubChem CID834553
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(SC)cc1
InChIInChI=1S/C12H17N5S/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14,16)
InChIKeyWUHULPQXLCXLKZ-UHFFFAOYSA-N
XLogP2.42
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-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

N-(1-ethyl-1H-tetraazol-5-yl)-N-[4-(methylsulfanyl)benzyl]amine
CID 834578
N-(2-fluorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725628
1-methyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
CID 4727544
1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
CID 834587
1-butyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
CID 1817889
N-(2-methylbenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725629
N-(4-ethylbenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4727417
1H-Tetrazol-5-amine, 1-methyl-N-(phenylmethyl)-
CID 283424
(4-Fluoro-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
CID 2219219
N-benzyl-1-prop-2-enyltetrazol-5-amine
CID 4726332
N-benzyl-1-butyltetrazol-5-amine
CID 1817904
5-(4-Ethylphenyl)-7-[4-(methylsulfanyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3684178

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine (CID 834553) is N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(SC)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is WUHULPQXLCXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-8-17-12(14-15-16-17)13-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,13,14,16).
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine?
N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 834553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).