4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole

C8H17N3 — CID 69388585

IUPAC4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole
SMILESCCCC1N(CC)C=NN1C
InChIInChI=1S/C8H17N3/c1-4-6-8-10(3)9-7-11(8)5-2/h7-8H,4-6H2,1-3H3
InChIKeyZCPIFCIQJPFPFA-UHFFFAOYSA-N
MW155.25 g/mol
LogP1.32
Rot. Bonds3

About 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole

4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole (PubChem CID 69388585) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole
PubChem CID69388585
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole
SMILESCCCC1N(CC)C=NN1C
InChIInChI=1S/C8H17N3/c1-4-6-8-10(3)9-7-11(8)5-2/h7-8H,4-6H2,1-3H3
InChIKeyZCPIFCIQJPFPFA-UHFFFAOYSA-N
XLogP1.32
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2,3-dimethyl-3H-1,2,4-triazole
CID 69385478
4-tert-butyl-2-methyl-3-propyl-3H-1,2,4-triazole
CID 69381476
4-butyl-3-ethyl-2-methyl-3H-1,2,4-triazole
CID 69381874
1,3-diethyl-2-propyl-2H-imidazole
CID 69395933
4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole
CID 69385016
2-ethyl-4-(1,1,2,2,2-pentachloroethyl)-3-propyl-3H-1,2,4-triazole
CID 69384514
2-butyl-4-chloro-3-propyl-3H-1,2,4-triazole
CID 87804672
2-butyl-3-tert-butyl-4-ethyl-3H-1,2,4-triazole
CID 69382996
3-butyl-2-ethyl-4-(trichloromethyl)-3H-1,2,4-triazole
CID 69387721
1-nonadecyl-2-propyl-3-tetradecyl-2H-imidazole
CID 69388828
1-decyl-3-dodecyl-2-propyl-2H-imidazole
CID 69387094
1-pentadecyl-2-propyl-3-undecyl-2H-imidazole
CID 69395009

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole?
The IUPAC name of 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole (CID 69388585) is 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole?
The canonical SMILES for 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole is CCCC1N(CC)C=NN1C.
What is the InChIKey of 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole?
The InChIKey is ZCPIFCIQJPFPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-6-8-10(3)9-7-11(8)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole?
4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole has a molecular weight of 155.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-propyl-3H-1,2,4-triazole is sourced from PubChem (CID 69388585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).