5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H12N4 — CID 123636037

IUPAC5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(C)n2nc(C)nc2n1
InChIInChI=1S/C9H12N4/c1-4-8-5-6(2)13-9(11-8)10-7(3)12-13/h5H,4H2,1-3H3
InChIKeyGZMYTPYDYRNUSB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.30
Rot. Bonds1

About 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 123636037) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID123636037
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(C)n2nc(C)nc2n1
InChIInChI=1S/C9H12N4/c1-4-8-5-6(2)13-9(11-8)10-7(3)12-13/h5H,4H2,1-3H3
InChIKeyGZMYTPYDYRNUSB-UHFFFAOYSA-N
XLogP1.30
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-ethyl-7-methylpyrazolo[1,5-a]pyrimidine
CID 71055249
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine;dihydrochloride
CID 146050004
N-[2-[(5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]-2-methylpropanamide
CID 50778569
4-tert-butyl-N-[4-[(5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]benzenesulfonamide
CID 46380201
2,6-diethyl-4-methylpyridine
CID 12595102
4,6-diethyl-2-iodopyrimidine
CID 130548955
2,4-diethyl-6-methylpyrimidine
CID 45080276
2-ethyl-7-methyl-5-propan-2-ylimidazo[1,2-a]pyrimidine
CID 155732928
5,7-diethyltetrazolo[1,5-a]pyrimidine
CID 13045223
5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 66490765
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 854932

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 123636037) is 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(C)n2nc(C)nc2n1.
What is the InChIKey of 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GZMYTPYDYRNUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-4-8-5-6(2)13-9(11-8)10-7(3)12-13/h5H,4H2,1-3H3.
What are the key properties of 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123636037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).