6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde

C11H11N5OS — CID 80639438

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H11N5OS/c1-7-4-8(6-17)5-12-10(7)18-11-13-14-15-16(11)9-2-3-9/h4-6,9H,2-3H2,1H3
InChIKeyVAWUZNLIZJXRKZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.68
Rot. Bonds4

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde (PubChem CID 80639438) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
PubChem CID80639438
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Sc1nnnn1C1CC1
InChIInChI=1S/C11H11N5OS/c1-7-4-8(6-17)5-12-10(7)18-11-13-14-15-16(11)9-2-3-9/h4-6,9H,2-3H2,1H3
InChIKeyVAWUZNLIZJXRKZ-UHFFFAOYSA-N
XLogP1.68
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde (CID 80639438) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Sc1nnnn1C1CC1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde?
The InChIKey is VAWUZNLIZJXRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-4-8(6-17)5-12-10(7)18-11-13-14-15-16(11)9-2-3-9/h4-6,9H,2-3H2,1H3.
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde has a molecular weight of 261.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80639438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).