7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C8H9N5S — CID 136840344

IUPAC7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1csc(C2CCNc3nnnn32)c1
InChIInChI=1S/C8H9N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-2,5-6H,3-4H2,(H,9,10,12)
InChIKeyNWESRXBAXSKHAU-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.14
Rot. Bonds1

About 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136840344) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
PubChem CID136840344
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
SMILESc1csc(C2CCNc3nnnn32)c1
InChIInChI=1S/C8H9N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-2,5-6H,3-4H2,(H,9,10,12)
InChIKeyNWESRXBAXSKHAU-UHFFFAOYSA-N
XLogP1.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840532
(7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
CID 136837739
2-cyclopentyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841108
2-(oxolan-3-yl)-7-thiophen-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136839760
7-naphthalen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840374
3-ethyl-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841199
7-(4-methoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 137012178
2-(4-methylphenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709447
5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 91614710
ethyl 7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136933776
9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841410
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840365

Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136840344) is 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is c1csc(C2CCNc3nnnn32)c1.
What is the InChIKey of 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is NWESRXBAXSKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-2,5-6H,3-4H2,(H,9,10,12).
What are the key properties of 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?
7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 207.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136840344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).