4-butyl-5-ethyl-2H-triazole

C8H15N3 — CID 69383465

IUPAC4-butyl-5-ethyl-2H-triazole
SMILESCCCCc1n[nH]nc1CC
InChIInChI=1S/C8H15N3/c1-3-5-6-8-7(4-2)9-11-10-8/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyCRNXXDZAYYEQEQ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.71
Rot. Bonds4

About 4-butyl-5-ethyl-2H-triazole

4-butyl-5-ethyl-2H-triazole (PubChem CID 69383465) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-butyl-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-butyl-5-ethyl-2H-triazole
PubChem CID69383465
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-butyl-5-ethyl-2H-triazole
SMILESCCCCc1n[nH]nc1CC
InChIInChI=1S/C8H15N3/c1-3-5-6-8-7(4-2)9-11-10-8/h3-6H2,1-2H3,(H,9,10,11)
InChIKeyCRNXXDZAYYEQEQ-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibutyl-2H-triazole
CID 54195681
4-butyl-5-propyl-2H-triazole
CID 69382239
4-ethyl-5-propyl-2H-triazole
CID 69382323
5-butyl-2H-triazole-4-carbonitrile
CID 69384734
4-methyl-5-octyl-2H-triazole
CID 21337908
4-butyl-5-nitro-2H-triazole
CID 15751540
4-chloro-5-ethyl-2H-triazole
CID 69384556
4-methyl-5-propyl-2H-triazole
CID 23402789
4-(difluoromethyl)-5-ethyl-2H-triazole
CID 54125422
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole
CID 143813373
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-2H-triazole?
The IUPAC name of 4-butyl-5-ethyl-2H-triazole (CID 69383465) is 4-butyl-5-ethyl-2H-triazole.
What is the SMILES notation for 4-butyl-5-ethyl-2H-triazole?
The canonical SMILES for 4-butyl-5-ethyl-2H-triazole is CCCCc1n[nH]nc1CC.
What is the InChIKey of 4-butyl-5-ethyl-2H-triazole?
The InChIKey is CRNXXDZAYYEQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-5-6-8-7(4-2)9-11-10-8/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 4-butyl-5-ethyl-2H-triazole?
4-butyl-5-ethyl-2H-triazole has a molecular weight of 153.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-2H-triazole is sourced from PubChem (CID 69383465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).