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

C8H14N4 — CID 163409809

IUPAC(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILESC[C@H](N)c1n[nH]c(C2CCC2)n1
InChIInChI=1S/C8H14N4/c1-5(9)7-10-8(12-11-7)6-3-2-4-6/h5-6H,2-4,9H2,1H3,(H,10,11,12)/t5-/m0/s1
InChIKeyANDVDDLRTOFCQB-YFKPBYRVSA-N
MW166.23 g/mol
LogP1.09
Rot. Bonds2

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

(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine (PubChem CID 163409809) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
PubChem CID163409809
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
SMILESC[C@H](N)c1n[nH]c(C2CCC2)n1
InChIInChI=1S/C8H14N4/c1-5(9)7-10-8(12-11-7)6-3-2-4-6/h5-6H,2-4,9H2,1H3,(H,10,11,12)/t5-/m0/s1
InChIKeyANDVDDLRTOFCQB-YFKPBYRVSA-N
XLogP1.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclohexyl-3-(2,4-dimethylpentan-3-yl)-1H-1,2,4-triazole
CID 114282263
cyclohexyl-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)methanamine
CID 61337578
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 61338739
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 62674842
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311
(1S)-1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146725
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pentan-1-amine
CID 107146724
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910656
3-(1-chloroethyl)-5-cyclopropyl-1H-1,2,4-triazole;hydrochloride
CID 170918642
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62637249
5-cyclopentyl-3-heptan-4-yl-1H-1,2,4-triazole
CID 82987037

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine (CID 163409809) is (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine is C[C@H](N)c1n[nH]c(C2CCC2)n1.
What is the InChIKey of (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ANDVDDLRTOFCQB-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(9)7-10-8(12-11-7)6-3-2-4-6/h5-6H,2-4,9H2,1H3,(H,10,11,12)/t5-/m0/s1.
What are the key properties of (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine?
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 166.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 163409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).