(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine

C17H24N4O — CID 164634920

IUPAC(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
SMILESCCn1nncc1CN(CCc1ccccc1)[C@H]1CCOC1
InChIInChI=1S/C17H24N4O/c1-2-21-17(12-18-19-21)13-20(16-9-11-22-14-16)10-8-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3/t16-/m0/s1
InChIKeyVFPSNTIRDGSEIA-INIZCTEOSA-N
MW300.41 g/mol
LogP2.13
Rot. Bonds7

About (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine

(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine (PubChem CID 164634920) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
PubChem CID164634920
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
SMILESCCn1nncc1CN(CCc1ccccc1)[C@H]1CCOC1
InChIInChI=1S/C17H24N4O/c1-2-21-17(12-18-19-21)13-20(16-9-11-22-14-16)10-8-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3/t16-/m0/s1
InChIKeyVFPSNTIRDGSEIA-INIZCTEOSA-N
XLogP2.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[[Benzyl-[[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethanol
CID 155531672
1-[4-[[Methyl(3-phenylpropyl)amino]methyl]triazol-1-yl]hexan-2-ol
CID 46863381
1-[4-[[Methyl(2-phenylethyl)amino]methyl]triazol-1-yl]hexan-2-ol
CID 46863382
2-[4-[[Methyl(2-phenylethyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 57391975
1-(2-(2-(2-methoxyethoxy)ethoxy)ethyl)-4-phenyl-1H-1,2,3-triazole
CID 117722885
5-[[2-(1-Benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole
CID 75470852
1-[(3-Benzyltriazol-4-yl)methyl]-4-cyclobutyloxypiperidine
CID 136548193
4-[[(3-Benzyltriazol-4-yl)methyl-methylamino]methyl]oxan-4-ol
CID 137988806
4-(3-fluoro-4-propan-2-ylphenyl)-1-[(3S)-oxolan-3-yl]triazole
CID 167320769
4-(3-fluoro-4-propan-2-ylphenyl)-1-[(3R)-oxolan-3-yl]triazole
CID 167320790
4-(4-ethyl-3-fluorophenyl)-1-[(3S)-oxolan-3-yl]triazole
CID 169595031
N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine
CID 102411770

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
The IUPAC name of (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine (CID 164634920) is (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
The canonical SMILES for (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine is CCn1nncc1CN(CCc1ccccc1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
The InChIKey is VFPSNTIRDGSEIA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-21-17(12-18-19-21)13-20(16-9-11-22-14-16)10-8-15-6-4-3-5-7-15/h3-7,12,16H,2,8-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
(3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine has a molecular weight of 300.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-ethyltriazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine is sourced from PubChem (CID 164634920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).