4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

C15H18N8S — CID 71999812

IUPAC4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCN(Cc3nnnn3C3CC3)CC2)c2sccc2n1
InChIInChI=1S/C15H18N8S/c1-2-11(1)23-13(18-19-20-23)9-21-4-6-22(7-5-21)15-14-12(3-8-24-14)16-10-17-15/h3,8,10-11H,1-2,4-7,9H2
InChIKeyIJWDIFRMRCFNCY-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.33
Rot. Bonds4

About 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 71999812) has the molecular formula C15H18N8S and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID71999812
Molecular FormulaC15H18N8S
Molecular Weight342.43 g/mol
Exact Mass342.14
IUPAC Name4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCN(Cc3nnnn3C3CC3)CC2)c2sccc2n1
InChIInChI=1S/C15H18N8S/c1-2-11(1)23-13(18-19-20-23)9-21-4-6-22(7-5-21)15-14-12(3-8-24-14)16-10-17-15/h3,8,10-11H,1-2,4-7,9H2
InChIKeyIJWDIFRMRCFNCY-UHFFFAOYSA-N
XLogP1.33
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine (CID 71999812) is 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is c1nc(N2CCN(Cc3nnnn3C3CC3)CC2)c2sccc2n1.
What is the InChIKey of 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is IJWDIFRMRCFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8S/c1-2-11(1)23-13(18-19-20-23)9-21-4-6-22(7-5-21)15-14-12(3-8-24-14)16-10-17-15/h3,8,10-11H,1-2,4-7,9H2.
What are the key properties of 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 342.43 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 71999812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).