3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine

C9H17N5 — CID 66276249

IUPAC3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1CCCN(c2n[nH]c(N)n2)C1
InChIInChI=1S/C9H17N5/c1-2-7-4-3-5-14(6-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13)
InChIKeyXEQUUXZPSCQUAU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.01
Rot. Bonds2

About 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine

3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66276249) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66276249
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1CCCN(c2n[nH]c(N)n2)C1
InChIInChI=1S/C9H17N5/c1-2-7-4-3-5-14(6-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13)
InChIKeyXEQUUXZPSCQUAU-UHFFFAOYSA-N
XLogP1.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277764
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
CID 112629409
4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80775661
2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
CID 114802720
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
CID 112708500
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799765
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874
[4-(3-ethylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898510
3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 79187063
[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine (CID 66276249) is 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is CCC1CCCN(c2n[nH]c(N)n2)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is XEQUUXZPSCQUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-7-4-3-5-14(6-7)9-11-8(10)12-13-9/h7H,2-6H2,1H3,(H3,10,11,12,13).
What are the key properties of 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine?
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 195.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66276249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).