1,2-diethyl-4-propyl-1,2,4-triazolidine

C9H21N3 — CID 174905604

IUPAC1,2-diethyl-4-propyl-1,2,4-triazolidine
SMILESCCCN1CN(CC)N(CC)C1
InChIInChI=1S/C9H21N3/c1-4-7-10-8-11(5-2)12(6-3)9-10/h4-9H2,1-3H3
InChIKeyWHFWBXQUHAEESY-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.19
Rot. Bonds4

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

1,2-diethyl-4-propyl-1,2,4-triazolidine (PubChem CID 174905604) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,2-diethyl-4-propyl-1,2,4-triazolidine.

Molecular Properties

Compound Name1,2-diethyl-4-propyl-1,2,4-triazolidine
PubChem CID174905604
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,2-diethyl-4-propyl-1,2,4-triazolidine
SMILESCCCN1CN(CC)N(CC)C1
InChIInChI=1S/C9H21N3/c1-4-7-10-8-11(5-2)12(6-3)9-10/h4-9H2,1-3H3
InChIKeyWHFWBXQUHAEESY-UHFFFAOYSA-N
XLogP1.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1,2-diethyl-1,2,4-triazolidine
CID 163847539
1-propylpyrrolidine;hydrobromide
CID 173024709
1-butyl-3-methyl-1,3-diazetidine
CID 54539532
3-methylsulfanyl-1-propylazetidine
CID 66695251
1-tert-butyl-4-propylpiperazine
CID 58721754
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
ethane;3-fluoro-3-methyl-1-propylazetidine
CID 153356034
methanol;1-propylpiperidine
CID 171515121
3-(3,5-dipropyl-1,3,5-triazinan-1-yl)propyl-triethoxysilane
CID 153419971
bis(2-(4-ethylpiperazin-1-yl)ethanol);methane;bis(2-(4-propylpiperazin-1-yl)ethanol)
CID 161496003

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-propyl-1,2,4-triazolidine?
The IUPAC name of 1,2-diethyl-4-propyl-1,2,4-triazolidine (CID 174905604) is 1,2-diethyl-4-propyl-1,2,4-triazolidine.
What is the SMILES notation for 1,2-diethyl-4-propyl-1,2,4-triazolidine?
The canonical SMILES for 1,2-diethyl-4-propyl-1,2,4-triazolidine is CCCN1CN(CC)N(CC)C1.
What is the InChIKey of 1,2-diethyl-4-propyl-1,2,4-triazolidine?
The InChIKey is WHFWBXQUHAEESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-7-10-8-11(5-2)12(6-3)9-10/h4-9H2,1-3H3.
What are the key properties of 1,2-diethyl-4-propyl-1,2,4-triazolidine?
1,2-diethyl-4-propyl-1,2,4-triazolidine has a molecular weight of 171.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-propyl-1,2,4-triazolidine is sourced from PubChem (CID 174905604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).