(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine

C17H25N5 — CID 72900077

IUPAC(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCn1nc(-c2ccncc2)nc1[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H25N5/c1-2-22-17(15(18)12-13-6-4-3-5-7-13)20-16(21-22)14-8-10-19-11-9-14/h8-11,13,15H,2-7,12,18H2,1H3/t15-/m0/s1
InChIKeyNEIXSYAKLUFBLD-HNNXBMFYSA-N
MW299.42 g/mol
LogP3.33
Rot. Bonds5

About (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine

(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 72900077) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID72900077
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCCn1nc(-c2ccncc2)nc1[C@@H](N)CC1CCCCC1
InChIInChI=1S/C17H25N5/c1-2-22-17(15(18)12-13-6-4-3-5-7-13)20-16(21-22)14-8-10-19-11-9-14/h8-11,13,15H,2-7,12,18H2,1H3/t15-/m0/s1
InChIKeyNEIXSYAKLUFBLD-HNNXBMFYSA-N
XLogP3.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
cyclooctyl-(2-ethylpyrazol-3-yl)methanamine
CID 80604016
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962
(4S)-4-acetamido-4-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 72880360
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62723083
1-cyclohexyl-4-pyridin-4-ylbutan-2-amine
CID 105135881
2-cyclohexyl-1-pyridin-4-ylethanol
CID 62606485
2-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethanamine
CID 115816159

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine (CID 72900077) is (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine is CCn1nc(-c2ccncc2)nc1[C@@H](N)CC1CCCCC1.
What is the InChIKey of (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is NEIXSYAKLUFBLD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-22-17(15(18)12-13-6-4-3-5-7-13)20-16(21-22)14-8-10-19-11-9-14/h8-11,13,15H,2-7,12,18H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine?
(1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 299.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-(2-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 72900077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).