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

C10H19N5 — CID 66277764

IUPAC3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1CCCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H19N5/c1-2-8-4-3-6-15(7-5-8)10-12-9(11)13-14-10/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeyMRUXZJYRNKGDAD-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.40
Rot. Bonds2

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

3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine (PubChem CID 66277764) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
PubChem CID66277764
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine
SMILESCCC1CCCN(c2n[nH]c(N)n2)CC1
InChIInChI=1S/C10H19N5/c1-2-8-4-3-6-15(7-5-8)10-12-9(11)13-14-10/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeyMRUXZJYRNKGDAD-UHFFFAOYSA-N
XLogP1.40
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylpiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276249
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
3-(4-ethoxypiperidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276875
[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]methanol
CID 112629409
2-[1-(5-amino-1H-1,2,4-triazol-3-yl)pyrrolidin-3-yl]ethanol
CID 114802720
6-(4-ethylazepan-1-yl)pyrazin-2-amine
CID 78992314
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-butan-2-yl-N-ethylpiperidin-4-amine
CID 155577061
3-(4-butan-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66274506
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidine-3-carboxylic acid
CID 112708500
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
3-[4-[2-[(2R)-3-chloro-2-methylbutyl]pyrrolidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 163996118

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine (CID 66277764) is 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine is CCC1CCCN(c2n[nH]c(N)n2)CC1.
What is the InChIKey of 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine?
The InChIKey is MRUXZJYRNKGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-8-4-3-6-15(7-5-8)10-12-9(11)13-14-10/h8H,2-7H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine?
3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine has a molecular weight of 209.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylazepan-1-yl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 66277764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).