3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

C10H12N6S — CID 62468379

IUPAC3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ncccc1CSc1nnnn1C1CC1
InChIInChI=1S/C10H12N6S/c11-9-7(2-1-5-12-9)6-17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,11,12)
InChIKeyLEWGSZYQNYQMSB-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.28
Rot. Bonds4

About 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62468379) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID62468379
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ncccc1CSc1nnnn1C1CC1
InChIInChI=1S/C10H12N6S/c11-9-7(2-1-5-12-9)6-17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,11,12)
InChIKeyLEWGSZYQNYQMSB-UHFFFAOYSA-N
XLogP1.28
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine 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 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (CID 62468379) is 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is Nc1ncccc1CSc1nnnn1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is LEWGSZYQNYQMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c11-9-7(2-1-5-12-9)6-17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,11,12).
What are the key properties of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 248.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62468379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).