[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine

C14H28N6 — CID 105242143

IUPAC[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
SMILESCCC(CC)(C(Cc1ncnn1C)NN)N1CCCC1
InChIInChI=1S/C14H28N6/c1-4-14(5-2,20-8-6-7-9-20)12(18-15)10-13-16-11-17-19(13)3/h11-12,18H,4-10,15H2,1-3H3
InChIKeyPMSPLENFIVFGIB-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.84
Rot. Bonds7

About [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine

[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine (PubChem CID 105242143) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
PubChem CID105242143
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
SMILESCCC(CC)(C(Cc1ncnn1C)NN)N1CCCC1
InChIInChI=1S/C14H28N6/c1-4-14(5-2,20-8-6-7-9-20)12(18-15)10-13-16-11-17-19(13)3/h11-12,18H,4-10,15H2,1-3H3
InChIKeyPMSPLENFIVFGIB-UHFFFAOYSA-N
XLogP0.84
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2-bromophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105242253
[3-methyl-3-piperidin-1-yl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105239944
[1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-piperidin-1-ylpentan-2-yl]hydrazine
CID 105241370
3-hydrazinyl-N,N,2-trimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105238923
N,3,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997587
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242962
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
[1-ethylsulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105225311
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
[1-(2-methylcyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107194210
N-ethyl-2,3-dimethyl-4-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81015585
N,N-diethyl-2-hydrazinyl-3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-3-amine
CID 105240944

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
The IUPAC name of [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine (CID 105242143) is [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine.
What is the SMILES notation for [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
The canonical SMILES for [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine is CCC(CC)(C(Cc1ncnn1C)NN)N1CCCC1.
What is the InChIKey of [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
The InChIKey is PMSPLENFIVFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-4-14(5-2,20-8-6-7-9-20)12(18-15)10-13-16-11-17-19(13)3/h11-12,18H,4-10,15H2,1-3H3.
What are the key properties of [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine?
[3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine has a molecular weight of 280.42 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylpentan-2-yl]hydrazine is sourced from PubChem (CID 105242143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).