1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine

C12H17N5S — CID 70052916

IUPAC1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nnnn1Cc1ccccc1
InChIInChI=1S/C12H17N5S/c1-18-8-7-11(13)12-14-15-16-17(12)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyYEWZHZPQLHIRPX-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.47
Rot. Bonds6

About 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine

1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 70052916) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
PubChem CID70052916
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCCC(N)c1nnnn1Cc1ccccc1
InChIInChI=1S/C12H17N5S/c1-18-8-7-11(13)12-14-15-16-17(12)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyYEWZHZPQLHIRPX-UHFFFAOYSA-N
XLogP1.47
TPSA69.62 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
CID 71755974
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
(1S)-1-[2-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-methylsulfanylpropan-1-amine
CID 131937735
[1-(1-benzyltetrazol-5-yl)-2-phenylethyl]hydrazine
CID 132531197
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
CID 163754312
[5-amino-5-[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]pentyl]boronic acid;hydrochloride
CID 171057874
3-[1-[1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360352
1-benzyl-5-chlorotetrazole
CID 46835417
1-(1-benzyltetrazol-5-yl)-1-methylhydrazine
CID 155369783
N-[(1-benzyltetrazol-5-yl)-(1-tert-butyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 146657706
2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide
CID 173120186

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine (CID 70052916) is 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine is CSCCC(N)c1nnnn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is YEWZHZPQLHIRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-18-8-7-11(13)12-14-15-16-17(12)9-10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3.
What are the key properties of 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine?
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 70052916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).