2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole

C11H23N3 — CID 69387208

IUPAC2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole
SMILESCCCCN1N=CN(C(C)C)C1CC
InChIInChI=1S/C11H23N3/c1-5-7-8-14-11(6-2)13(9-12-14)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFOIOSUVUPWRHCJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.49
Rot. Bonds5

About 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole

2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole (PubChem CID 69387208) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole
PubChem CID69387208
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole
SMILESCCCCN1N=CN(C(C)C)C1CC
InChIInChI=1S/C11H23N3/c1-5-7-8-14-11(6-2)13(9-12-14)10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyFOIOSUVUPWRHCJ-UHFFFAOYSA-N
XLogP2.49
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-hexyl-4-propan-2-yl-3-propyl-3H-1,2,4-triazole
CID 69388534
2-butyl-3-nitro-4-propan-2-yl-3H-1,2,4-triazole
CID 69404184
2,3-dibutyl-4-(2-methylpropyl)-3H-1,2,4-triazole
CID 69382114
2-butyl-4-chloro-3-propyl-3H-1,2,4-triazole
CID 87804672
2-butyl-4-chloro-3-propan-2-yl-3H-1,2,4-triazole
CID 87803233
3-butyl-4-fluoro-2-hexyl-3H-1,2,4-triazole
CID 87803672
2-butyl-4-chloro-3-(2,2-dimethylpropyl)-3H-1,2,4-triazole
CID 87804341
4-butyl-3-ethyl-2-methyl-3H-1,2,4-triazole
CID 69381874
1-dodecyl-2-ethyl-3-propan-2-yl-2H-imidazole
CID 69395424
4-butyl-2-propan-2-yl-3-propyl-3H-1,2,4-triazole
CID 69385016
2-butyl-3-tert-butyl-4-methyl-3H-1,2,4-triazole
CID 69385535
2,4-dibutyl-3-tert-butyl-3H-1,2,4-triazole
CID 69382894

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole?
The IUPAC name of 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole (CID 69387208) is 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole.
What is the SMILES notation for 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole?
The canonical SMILES for 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole is CCCCN1N=CN(C(C)C)C1CC.
What is the InChIKey of 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole?
The InChIKey is FOIOSUVUPWRHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-7-8-14-11(6-2)13(9-12-14)10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole?
2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole has a molecular weight of 197.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethyl-4-propan-2-yl-3H-1,2,4-triazole is sourced from PubChem (CID 69387208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).