N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride

C12H14ClN7S — CID 71537500

IUPACN-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride
SMILESCNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.Cl
InChIInChI=1S/C12H13N7S.ClH/c1-13-8-6-18(7-8)11-12-15-16-17-19(12)9(5-14-11)10-3-2-4-20-10;/h2-5,8,13H,6-7H2,1H3;1H
InChIKeyZZUMKHYGHUOGGZ-UHFFFAOYSA-N
MW323.81 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride

N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride (PubChem CID 71537500) has the molecular formula C12H14ClN7S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride
PubChem CID71537500
Molecular FormulaC12H14ClN7S
Molecular Weight323.81 g/mol
Exact Mass323.07
IUPAC NameN-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride
SMILESCNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.Cl
InChIInChI=1S/C12H13N7S.ClH/c1-13-8-6-18(7-8)11-12-15-16-17-19(12)9(5-14-11)10-3-2-4-20-10;/h2-5,8,13H,6-7H2,1H3;1H
InChIKeyZZUMKHYGHUOGGZ-UHFFFAOYSA-N
XLogP1.08
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride 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 N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride (CID 71537500) is N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride is CNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.Cl.
What is the InChIKey of N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride?
The InChIKey is ZZUMKHYGHUOGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S.ClH/c1-13-8-6-18(7-8)11-12-15-16-17-19(12)9(5-14-11)10-3-2-4-20-10;/h2-5,8,13H,6-7H2,1H3;1H.
What are the key properties of N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride?
N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride has a molecular weight of 323.81 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 71537500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).