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

C13H26N6 — CID 155577061

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine
SMILESCCC(C)N(CC)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C13H26N6/c1-4-10(3)19(5-2)11-6-8-18(9-7-11)13-15-12(14)16-17-13/h10-11H,4-9H2,1-3H3,(H3,14,15,16,17)
InChIKeyVJOVLFIIHDXHKL-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.48
Rot. Bonds5

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

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine (PubChem CID 155577061) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine
PubChem CID155577061
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine
SMILESCCC(C)N(CC)C1CCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C13H26N6/c1-4-10(3)19(5-2)11-6-8-18(9-7-11)13-15-12(14)16-17-13/h10-11H,4-9H2,1-3H3,(H3,14,15,16,17)
InChIKeyVJOVLFIIHDXHKL-UHFFFAOYSA-N
XLogP1.48
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66274506
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875
3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277764
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[1-(4-chlorophenyl)ethyl]-N-[2-(4-chlorophenyl)ethyl]piperidin-4-amine;carbon dioxide
CID 176517220
N-butan-2-yl-N-ethylcyclopropanamine
CID 123791449
3-[4-[2-[(2R)-3-chloro-2-methylbutyl]pyrrolidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 163996118
3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
CID 112629409
3-[4-[3-(4-chlorophenyl)butyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 149290998
2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-methylamino]-3-(4-chlorophenyl)propan-1-ol
CID 122602556
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine
CID 118165359

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine (CID 155577061) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine is CCC(C)N(CC)C1CCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine?
The InChIKey is VJOVLFIIHDXHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-4-10(3)19(5-2)11-6-8-18(9-7-11)13-15-12(14)16-17-13/h10-11H,4-9H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine?
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 155577061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).