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

C12H13N7S — CID 53391272

IUPACN-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine
SMILESCNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1
InChIInChI=1S/C12H13N7S/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
InChIKeyCUNPOLZDNNKDJG-UHFFFAOYSA-N
MW287.35 g/mol
LogP0.66
Rot. Bonds3

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

N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine (PubChem CID 53391272) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine
PubChem CID53391272
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC NameN-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine
SMILESCNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1
InChIInChI=1S/C12H13N7S/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
InChIKeyCUNPOLZDNNKDJG-UHFFFAOYSA-N
XLogP0.66
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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?
The IUPAC name of N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine (CID 53391272) is N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine is CNC1CN(c2ncc(-c3cccs3)n3nnnc23)C1.
What is the InChIKey of N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine?
The InChIKey is CUNPOLZDNNKDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/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.
What are the key properties of N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine?
N-methyl-1-(5-thiophen-2-yltetrazolo[1,5-a]pyrazin-8-yl)azetidin-3-amine has a molecular weight of 287.35 g/mol, XLogP of 0.66, 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 is sourced from PubChem (CID 53391272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).