1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole

C7H13N5S — CID 62371631

IUPAC1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
SMILESCn1nnnc1SCC1CCNC1
InChIInChI=1S/C7H13N5S/c1-12-7(9-10-11-12)13-5-6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyXOLLJDYNNLFTRJ-UHFFFAOYSA-N
MW199.28 g/mol
LogP-0.09
Rot. Bonds3

About 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole

1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole (PubChem CID 62371631) has the molecular formula C7H13N5S and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
PubChem CID62371631
Molecular FormulaC7H13N5S
Molecular Weight199.28 g/mol
Exact Mass199.09
IUPAC Name1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole
SMILESCn1nnnc1SCC1CCNC1
InChIInChI=1S/C7H13N5S/c1-12-7(9-10-11-12)13-5-6-2-3-8-4-6/h6,8H,2-5H2,1H3
InChIKeyXOLLJDYNNLFTRJ-UHFFFAOYSA-N
XLogP-0.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[(3R)-pyrrolidin-3-yl]sulfanyltetrazole
CID 94401599
3-(pyrrolidin-3-ylmethylsulfanyl)-1,2,4-triazol-4-amine
CID 62371655
2-methyl-3-(pyrrolidin-3-ylmethylsulfanyl)-1H-1,2,4-triazine-5,6-dione
CID 107786507
1-methyl-N-(2-pyrrolidin-3-ylethyl)tetrazol-5-amine
CID 63623261
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]oxolane-2-carboxylic acid
CID 62299585
1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
CID 62480319
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
N-methyl-N-[(1-methyltetrazol-5-yl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 119932438

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole?
The IUPAC name of 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole (CID 62371631) is 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole?
The canonical SMILES for 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole is Cn1nnnc1SCC1CCNC1.
What is the InChIKey of 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole?
The InChIKey is XOLLJDYNNLFTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5S/c1-12-7(9-10-11-12)13-5-6-2-3-8-4-6/h6,8H,2-5H2,1H3.
What are the key properties of 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole?
1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole has a molecular weight of 199.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyrrolidin-3-ylmethylsulfanyl)tetrazole is sourced from PubChem (CID 62371631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).