(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol

C11H13N5OS — CID 114057132

IUPAC(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H13N5OS/c1-7(17)9-3-2-6-12-10(9)18-11-13-14-15-16(11)8-4-5-8/h2-3,6-8,17H,4-5H2,1H3/t7-/m0/s1
InChIKeyYEMFUXVKVHHPRA-ZETCQYMHSA-N
MW263.33 g/mol
LogP1.61
Rot. Bonds4

About (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol

(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol (PubChem CID 114057132) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
PubChem CID114057132
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H13N5OS/c1-7(17)9-3-2-6-12-10(9)18-11-13-14-15-16(11)8-4-5-8/h2-3,6-8,17H,4-5H2,1H3/t7-/m0/s1
InChIKeyYEMFUXVKVHHPRA-ZETCQYMHSA-N
XLogP1.61
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol (CID 114057132) is (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1Sc1nnnn1C1CC1.
What is the InChIKey of (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol?
The InChIKey is YEMFUXVKVHHPRA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7(17)9-3-2-6-12-10(9)18-11-13-14-15-16(11)8-4-5-8/h2-3,6-8,17H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol?
(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol has a molecular weight of 263.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol is sourced from PubChem (CID 114057132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).