4-butyl-1,2-diethyl-1,2,4-triazolidine

C10H23N3 — CID 163847539

IUPAC4-butyl-1,2-diethyl-1,2,4-triazolidine
SMILESCCCCN1CN(CC)N(CC)C1
InChIInChI=1S/C10H23N3/c1-4-7-8-11-9-12(5-2)13(6-3)10-11/h4-10H2,1-3H3
InChIKeyZUONWEKOROXTHG-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.58
Rot. Bonds5

About 4-butyl-1,2-diethyl-1,2,4-triazolidine

4-butyl-1,2-diethyl-1,2,4-triazolidine (PubChem CID 163847539) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-butyl-1,2-diethyl-1,2,4-triazolidine.

Molecular Properties

Compound Name4-butyl-1,2-diethyl-1,2,4-triazolidine
PubChem CID163847539
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name4-butyl-1,2-diethyl-1,2,4-triazolidine
SMILESCCCCN1CN(CC)N(CC)C1
InChIInChI=1S/C10H23N3/c1-4-7-8-11-9-12(5-2)13(6-3)10-11/h4-10H2,1-3H3
InChIKeyZUONWEKOROXTHG-UHFFFAOYSA-N
XLogP1.58
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diethyl-4-propyl-1,2,4-triazolidine
CID 174905604
1-butyl-3-methyl-1,3-diazetidine
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1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
1-butylazetidine;ethane
CID 143628082
1-pentyl-2,5-dihydropyrrole
CID 69341797
1,3-dibutyl-5-cyclohexyl-1,3,5-triazinane
CID 19832453
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
1-ethyl-4-undecylpiperazine
CID 21399231
1-ethyl-4-heptylpiperazine
CID 21399221
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-diethyl-1,2,4-triazolidine?
The IUPAC name of 4-butyl-1,2-diethyl-1,2,4-triazolidine (CID 163847539) is 4-butyl-1,2-diethyl-1,2,4-triazolidine.
What is the SMILES notation for 4-butyl-1,2-diethyl-1,2,4-triazolidine?
The canonical SMILES for 4-butyl-1,2-diethyl-1,2,4-triazolidine is CCCCN1CN(CC)N(CC)C1.
What is the InChIKey of 4-butyl-1,2-diethyl-1,2,4-triazolidine?
The InChIKey is ZUONWEKOROXTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-7-8-11-9-12(5-2)13(6-3)10-11/h4-10H2,1-3H3.
What are the key properties of 4-butyl-1,2-diethyl-1,2,4-triazolidine?
4-butyl-1,2-diethyl-1,2,4-triazolidine has a molecular weight of 185.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-diethyl-1,2,4-triazolidine is sourced from PubChem (CID 163847539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).