1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol

C15H22N4O2 — CID 106302975

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCCn1cnnc1CNCC(O)COc1ccc(C)cc1
InChIInChI=1S/C15H22N4O2/c1-3-19-11-17-18-15(19)9-16-8-13(20)10-21-14-6-4-12(2)5-7-14/h4-7,11,13,16,20H,3,8-10H2,1-2H3
InChIKeyLVIJGNCEGFRCMU-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.14
Rot. Bonds8

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol

1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol (PubChem CID 106302975) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
PubChem CID106302975
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
SMILESCCn1cnnc1CNCC(O)COc1ccc(C)cc1
InChIInChI=1S/C15H22N4O2/c1-3-19-11-17-18-15(19)9-16-8-13(20)10-21-14-6-4-12(2)5-7-14/h4-7,11,13,16,20H,3,8-10H2,1-2H3
InChIKeyLVIJGNCEGFRCMU-UHFFFAOYSA-N
XLogP1.14
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117512
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106303059
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302792
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 106302759
(2S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenoxy)propanamide
CID 94026406
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106302880
1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302469
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
1-(4-fluorophenoxy)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63332575

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol (CID 106302975) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol is CCn1cnnc1CNCC(O)COc1ccc(C)cc1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is LVIJGNCEGFRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-19-11-17-18-15(19)9-16-8-13(20)10-21-14-6-4-12(2)5-7-14/h4-7,11,13,16,20H,3,8-10H2,1-2H3.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol?
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 290.37 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 106302975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).