1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine

C8H16N4 — CID 79411817

IUPAC1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILESCCCCc1nc(C(C)N)n[nH]1
InChIInChI=1S/C8H16N4/c1-3-4-5-7-10-8(6(2)9)12-11-7/h6H,3-5,9H2,1-2H3,(H,10,11,12)
InChIKeyZFIZAKAULIFLBU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.17
Rot. Bonds4

About 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine

1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine (PubChem CID 79411817) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine
PubChem CID79411817
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILESCCCCc1nc(C(C)N)n[nH]1
InChIInChI=1S/C8H16N4/c1-3-4-5-7-10-8(6(2)9)12-11-7/h6H,3-5,9H2,1-2H3,(H,10,11,12)
InChIKeyZFIZAKAULIFLBU-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-phenylpropyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 82568184
(1S,2S)-2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 104900412
1-[5-(methylsulfonylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 62951682
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 61277333
3-pentan-2-yl-5-propyl-1H-1,2,4-triazole
CID 61336337
ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
CID 153344049
(1S)-1-[5-(pyrazol-1-ylmethyl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 97288422
5-pentadecyl-1H-1,2,4-triazol-3-amine
CID 6421777
5-hexadecyl-1H-1,2,4-triazol-3-amine
CID 70261193
3-[3-(1-methoxypropyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116732069
(1R)-2-[[(2R)-2-amino-2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]disulfanyl]-1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 90193582
4-[3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propyl]aniline
CID 96662513

Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine (CID 79411817) is 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine is CCCCc1nc(C(C)N)n[nH]1.
What is the InChIKey of 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ZFIZAKAULIFLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-4-5-7-10-8(6(2)9)12-11-7/h6H,3-5,9H2,1-2H3,(H,10,11,12).
What are the key properties of 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine?
1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 79411817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).