(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine

C16H22N4O — CID 114689286

IUPAC(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
SMILESCCOC1(C(N)c2cnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C16H22N4O/c1-2-21-16(10-6-7-11-16)15(17)14-12-18-19-20(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11,17H2,1H3
InChIKeyWIFWKBMRMUAXNB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.62
Rot. Bonds5

About (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine

(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 114689286) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID114689286
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
SMILESCCOC1(C(N)c2cnnn2-c2ccccc2)CCCC1
InChIInChI=1S/C16H22N4O/c1-2-21-16(10-6-7-11-16)15(17)14-12-18-19-20(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11,17H2,1H3
InChIKeyWIFWKBMRMUAXNB-UHFFFAOYSA-N
XLogP2.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114688379
[(1-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105337414
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
N-[(1-methylcyclopropyl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114688705
(2,2-dimethylcyclopropyl)-(3-phenyltriazol-4-yl)methanamine
CID 107005033
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine (CID 114689286) is (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine is CCOC1(C(N)c2cnnn2-c2ccccc2)CCCC1.
What is the InChIKey of (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is WIFWKBMRMUAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-21-16(10-6-7-11-16)15(17)14-12-18-19-20(14)13-8-4-3-5-9-13/h3-5,8-9,12,15H,2,6-7,10-11,17H2,1H3.
What are the key properties of (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine?
(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 114689286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).