4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine

C10H13N5S2 — CID 3061975

IUPAC4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
SMILESCn1nnnc1SCCCSc1ccncc1
InChIInChI=1S/C10H13N5S2/c1-15-10(12-13-14-15)17-8-2-7-16-9-3-5-11-6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyOMHHOYKQSMBZOO-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.88
Rot. Bonds6

About 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine

4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine (PubChem CID 3061975) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine.

Molecular Properties

Compound Name4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
PubChem CID3061975
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC Name4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
SMILESCn1nnnc1SCCCSc1ccncc1
InChIInChI=1S/C10H13N5S2/c1-15-10(12-13-14-15)17-8-2-7-16-9-3-5-11-6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyOMHHOYKQSMBZOO-UHFFFAOYSA-N
XLogP1.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium
CID 7005222
4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
4-methyl-2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyrimidine
CID 13138450
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
2-[6-(1-methyltetrazol-5-yl)sulfanylhexylsulfanyl]pyridine
CID 13061945
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
[4-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]phenyl]methanamine
CID 43530185
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]-1-methyltetrazole
CID 47115035
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
6-(1-methyltetrazol-5-yl)sulfanylhexan-2-one
CID 43794005

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine?
The IUPAC name of 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine (CID 3061975) is 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine.
What is the SMILES notation for 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine?
The canonical SMILES for 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine is Cn1nnnc1SCCCSc1ccncc1.
What is the InChIKey of 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine?
The InChIKey is OMHHOYKQSMBZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-15-10(12-13-14-15)17-8-2-7-16-9-3-5-11-6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine?
4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine has a molecular weight of 267.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine is sourced from PubChem (CID 3061975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).