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

C10H13N5S — CID 834587

IUPAC1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
SMILESCSc1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C10H13N5S/c1-15-10(12-13-14-15)11-7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyAAIBQKMQSOLWGG-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.54
Rot. Bonds4

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

1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine (PubChem CID 834587) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
PubChem CID834587
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
SMILESCSc1ccc(CNc2nnnn2C)cc1
InChIInChI=1S/C10H13N5S/c1-15-10(12-13-14-15)11-7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKeyAAIBQKMQSOLWGG-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(2-methylbenzyl)-1H-tetrazol-5-amine
CID 834605
N-(1-ethyl-1H-tetraazol-5-yl)-N-[4-(methylsulfanyl)benzyl]amine
CID 834578
N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725597
N-(2-fluorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725628
1-methyl-N-(4-methylbenzyl)-1H-tetrazol-5-amine
CID 4727544
N-[4-(methylsulfanyl)benzyl]-1-propyl-1H-tetrazol-5-amine
CID 834553
1-butyl-N-[(4-methylphenyl)methyl]tetrazol-5-amine
CID 1817889
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 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine (CID 834587) is 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine is CSc1ccc(CNc2nnnn2C)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The InChIKey is AAIBQKMQSOLWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15-10(12-13-14-15)11-7-8-3-5-9(16-2)6-4-8/h3-6H,7H2,1-2H3,(H,11,12,14).
What are the key properties of 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine has a molecular weight of 235.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 834587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).