5,7-diethyltetrazolo[1,5-a]pyrimidine

C8H11N5 — CID 13045223

IUPAC5,7-diethyltetrazolo[1,5-a]pyrimidine
SMILESCCc1cc(CC)n2nnnc2n1
InChIInChI=1S/C8H11N5/c1-3-6-5-7(4-2)13-8(9-6)10-11-12-13/h5H,3-4H2,1-2H3
InChIKeyFEOAIVLJODYLFY-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.64
Rot. Bonds2

About 5,7-diethyltetrazolo[1,5-a]pyrimidine

5,7-diethyltetrazolo[1,5-a]pyrimidine (PubChem CID 13045223) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5,7-diethyltetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-diethyltetrazolo[1,5-a]pyrimidine
PubChem CID13045223
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5,7-diethyltetrazolo[1,5-a]pyrimidine
SMILESCCc1cc(CC)n2nnnc2n1
InChIInChI=1S/C8H11N5/c1-3-6-5-7(4-2)13-8(9-6)10-11-12-13/h5H,3-4H2,1-2H3
InChIKeyFEOAIVLJODYLFY-UHFFFAOYSA-N
XLogP0.64
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine
CID 130668993
7-ethyltetrazolo[1,5-a][1,3,5]triazine
CID 156710931
5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123636037
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
7-methyl-5-phenyltetrazolo[1,5-a]pyrimidine
CID 745901
barium(2+);bis(tris(3,5-diethylpyrazol-1-yl)boranuide)
CID 139141227
3,5-diethyl-1-propylpyrazole
CID 82699697
2,6-diethyl-4-methylpyridine
CID 12595102
3,5-diethylpyrazole-1-carboxamide
CID 91622965
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
2-[2-(disulfanyl)ethyl]-5-ethyl-7-propan-2-ylimidazo[1,2-a]pyrimidine
CID 170019849
2-ethyl-7-methyl-5-propan-2-ylimidazo[1,2-a]pyrimidine
CID 155732928

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyltetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-diethyltetrazolo[1,5-a]pyrimidine (CID 13045223) is 5,7-diethyltetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-diethyltetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-diethyltetrazolo[1,5-a]pyrimidine is CCc1cc(CC)n2nnnc2n1.
What is the InChIKey of 5,7-diethyltetrazolo[1,5-a]pyrimidine?
The InChIKey is FEOAIVLJODYLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-6-5-7(4-2)13-8(9-6)10-11-12-13/h5H,3-4H2,1-2H3.
What are the key properties of 5,7-diethyltetrazolo[1,5-a]pyrimidine?
5,7-diethyltetrazolo[1,5-a]pyrimidine has a molecular weight of 177.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyltetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 13045223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).