(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine

C18H28N6O — CID 74232474

IUPAC(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(C2CCOCC2)nn1C1CCCCC1
InChIInChI=1S/C18H28N6O/c19-16(10-14-11-20-12-21-14)18-22-17(13-6-8-25-9-7-13)23-24(18)15-4-2-1-3-5-15/h11-13,15-16H,1-10,19H2,(H,20,21)/t16-/m0/s1
InChIKeyZSKVSZKVVSFCFI-INIZCTEOSA-N
MW344.46 g/mol
LogP2.64
Rot. Bonds5

About (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine

(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 74232474) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID74232474
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESN[C@@H](Cc1cnc[nH]1)c1nc(C2CCOCC2)nn1C1CCCCC1
InChIInChI=1S/C18H28N6O/c19-16(10-14-11-20-12-21-14)18-22-17(13-6-8-25-9-7-13)23-24(18)15-4-2-1-3-5-15/h11-13,15-16H,1-10,19H2,(H,20,21)/t16-/m0/s1
InChIKeyZSKVSZKVVSFCFI-INIZCTEOSA-N
XLogP2.64
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-(1H-imidazol-5-yl)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894681
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
5-cyclopropyl-1-[2-(1H-imidazol-5-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-triazole
CID 74250871
(1S)-1-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894670
2-(1H-imidazol-5-yl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 62694253
(1R)-2-(1H-imidazol-5-yl)-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894609
2-[5-[(R)-cyclohexyl(hydroxy)methyl]-3-(oxan-4-yl)-1,2,4-triazol-1-yl]acetic acid
CID 74240474
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894691
(1S)-2-(1H-imidazol-5-yl)-1-pyrimidin-2-ylethanamine
CID 165485208
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 114354474
(1S)-2-(1H-imidazol-5-yl)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104895409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 74232474) is (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine is N[C@@H](Cc1cnc[nH]1)c1nc(C2CCOCC2)nn1C1CCCCC1.
What is the InChIKey of (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is ZSKVSZKVVSFCFI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N6O/c19-16(10-14-11-20-12-21-14)18-22-17(13-6-8-25-9-7-13)23-24(18)15-4-2-1-3-5-15/h11-13,15-16H,1-10,19H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine?
(1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 344.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 74232474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).