5-ethyl-1-methyltriazole

C5H9N3 — CID 10772946

IUPAC5-ethyl-1-methyltriazole
SMILESCCc1cnnn1C
InChIInChI=1S/C5H9N3/c1-3-5-4-6-7-8(5)2/h4H,3H2,1-2H3
InChIKeyNSJLAMSQYHXKOD-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.38
Rot. Bonds1

About 5-ethyl-1-methyltriazole

5-ethyl-1-methyltriazole (PubChem CID 10772946) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 5-ethyl-1-methyltriazole.

Molecular Properties

Compound Name5-ethyl-1-methyltriazole
PubChem CID10772946
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name5-ethyl-1-methyltriazole
SMILESCCc1cnnn1C
InChIInChI=1S/C5H9N3/c1-3-5-4-6-7-8(5)2/h4H,3H2,1-2H3
InChIKeyNSJLAMSQYHXKOD-UHFFFAOYSA-N
XLogP0.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-1H-1,2,3-triazole
CID 15257141
2-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 62757243
1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 59155120
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetonitrile
CID 68122379
2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 83635332
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
4-(2-bromoethyl)-1-methyl-1H-1,2,3-triazole
CID 62395848
4-(2-chloroethyl)-1-methyl-1H-1,2,3-triazole
CID 62401426
(1S)-1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-amine
CID 122163653
5-(2-bromoethyl)-1-methyl-1H-1,2,3-triazole hydrobromide
CID 165657193
(1R)-1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-amine dihydrochloride
CID 167740720

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyltriazole?
The IUPAC name of 5-ethyl-1-methyltriazole (CID 10772946) is 5-ethyl-1-methyltriazole.
What is the SMILES notation for 5-ethyl-1-methyltriazole?
The canonical SMILES for 5-ethyl-1-methyltriazole is CCc1cnnn1C.
What is the InChIKey of 5-ethyl-1-methyltriazole?
The InChIKey is NSJLAMSQYHXKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-5-4-6-7-8(5)2/h4H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-methyltriazole?
5-ethyl-1-methyltriazole has a molecular weight of 111.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyltriazole is sourced from PubChem (CID 10772946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).