2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C12H20N6O2S — CID 43416398

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H20N6O2S/c19-8-7-16-3-5-17(6-4-16)11(20)9-21-12-13-14-15-18(12)10-1-2-10/h10,19H,1-9H2
InChIKeyUZMXZFSCTUCLPG-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.76
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 43416398) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID43416398
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1nnnn1C1CC1)N1CCN(CCO)CC1
InChIInChI=1S/C12H20N6O2S/c19-8-7-16-3-5-17(6-4-16)11(20)9-21-12-13-14-15-18(12)10-1-2-10/h10,19H,1-9H2
InChIKeyUZMXZFSCTUCLPG-UHFFFAOYSA-N
XLogP-0.76
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 43416398) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CSc1nnnn1C1CC1)N1CCN(CCO)CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is UZMXZFSCTUCLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c19-8-7-16-3-5-17(6-4-16)11(20)9-21-12-13-14-15-18(12)10-1-2-10/h10,19H,1-9H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 312.40 g/mol, XLogP of -0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43416398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).