6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine

C8H11N5 — CID 130668993

IUPAC6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nnnn2c1C
InChIInChI=1S/C8H11N5/c1-4-7-5(2)9-8-10-11-12-13(8)6(7)3/h4H2,1-3H3
InChIKeyNENGLSAVWDXQHB-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.70
Rot. Bonds1

About 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine

6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine (PubChem CID 130668993) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine
PubChem CID130668993
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine
SMILESCCc1c(C)nc2nnnn2c1C
InChIInChI=1S/C8H11N5/c1-4-7-5(2)9-8-10-11-12-13(8)6(7)3/h4H2,1-3H3
InChIKeyNENGLSAVWDXQHB-UHFFFAOYSA-N
XLogP0.70
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
7-ethyltetrazolo[1,5-a][1,3,5]triazine
CID 156710931
ethyl 6-ethyl-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200773
5-ethyl-1-hydroxy-4,6-dimethylpyrimidin-2-one;hydrochloride
CID 90201097
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
6-ethyl-2,5-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 6499305
7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 94672009
5-ethyl-4,6-dimethylpyridin-2-amine
CID 45079042
2-cyclopropyl-6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514266
6-ethyl-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 23063922
6-ethyl-7-hydroxy-4H-tetrazolo[1,5-a]pyrimidin-5-one
CID 135412634
6-(2,2-dimethylpropyl)-5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 129255443

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine (CID 130668993) is 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine is CCc1c(C)nc2nnnn2c1C.
What is the InChIKey of 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine?
The InChIKey is NENGLSAVWDXQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-4-7-5(2)9-8-10-11-12-13(8)6(7)3/h4H2,1-3H3.
What are the key properties of 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine?
6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine has a molecular weight of 177.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,7-dimethyltetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 130668993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).