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

C11H15N5S — CID 834578

IUPAC1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(SC)cc1
InChIInChI=1S/C11H15N5S/c1-3-16-11(13-14-15-16)12-8-9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,12,13,15)
InChIKeyGPVCKHKMCAEYAK-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.03
Rot. Bonds5

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

1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine (PubChem CID 834578) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
PubChem CID834578
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
SMILESCCn1nnnc1NCc1ccc(SC)cc1
InChIInChI=1S/C11H15N5S/c1-3-16-11(13-14-15-16)12-8-9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,12,13,15)
InChIKeyGPVCKHKMCAEYAK-UHFFFAOYSA-N
XLogP2.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-1H-1,2,3,4-tetrazol-5-amine
CID 563074
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-methyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine
CID 834587
1-butyl-N-[(4-methylphenyl)methyl]tetrazol-5-amine
CID 1817889
1H-Tetrazol-5-amine, 1-methyl-N-(phenylmethyl)-
CID 283424
1-Benzyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-amine
CID 15578942
(4-Fluoro-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
CID 2219219
N-benzyl-1-prop-2-enyltetrazol-5-amine
CID 4726332
1-allyl-N-(4-fluorobenzyl)-1H-tetraazol-5-amine
CID 3164475

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine (CID 834578) is 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine is CCn1nnnc1NCc1ccc(SC)cc1.
What is the InChIKey of 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
The InChIKey is GPVCKHKMCAEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-3-16-11(13-14-15-16)12-8-9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,12,13,15).
What are the key properties of 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine?
1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methylsulfanylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 834578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).