[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol

C12H15N5OS — CID 80651687

IUPAC[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
SMILESOCc1ccc(Sc2nnnn2C2CCCC2)nc1
InChIInChI=1S/C12H15N5OS/c18-8-9-5-6-11(13-7-9)19-12-14-15-16-17(12)10-3-1-2-4-10/h5-7,10,18H,1-4,8H2
InChIKeyWCRWGVXFUAQUAM-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.83
Rot. Bonds4

About [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol

[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol (PubChem CID 80651687) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
PubChem CID80651687
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol
SMILESOCc1ccc(Sc2nnnn2C2CCCC2)nc1
InChIInChI=1S/C12H15N5OS/c18-8-9-5-6-11(13-7-9)19-12-14-15-16-17(12)10-3-1-2-4-10/h5-7,10,18H,1-4,8H2
InChIKeyWCRWGVXFUAQUAM-UHFFFAOYSA-N
XLogP1.83
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80869111
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
[4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylphenyl]methanol
CID 63814749
6-(1-cyclohexyltetrazol-5-yl)sulfanylpyridine-2-carbonitrile
CID 133391855
5-(1-cyclopentyltetrazol-5-yl)sulfanyl-2-methylaniline
CID 55132300
2-bromo-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzoic acid
CID 107282642
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768
2-chloro-4-(1-cyclopentyltetrazol-5-yl)sulfanylbenzoic acid
CID 62944778
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266

Frequently Asked Questions

What is the IUPAC name of [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol?
The IUPAC name of [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol (CID 80651687) is [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol?
The canonical SMILES for [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol is OCc1ccc(Sc2nnnn2C2CCCC2)nc1.
What is the InChIKey of [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol?
The InChIKey is WCRWGVXFUAQUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c18-8-9-5-6-11(13-7-9)19-12-14-15-16-17(12)10-3-1-2-4-10/h5-7,10,18H,1-4,8H2.
What are the key properties of [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol?
[6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol has a molecular weight of 277.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanol is sourced from PubChem (CID 80651687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).