1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol

C13H17ClN4O — CID 106302469

IUPAC1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCCn1cnnc1CNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4O/c1-2-18-9-16-17-13(18)8-15-7-12(19)10-3-5-11(14)6-4-10/h3-6,9,12,15,19H,2,7-8H2,1H3
InChIKeyHJTUKHJEDPBJCT-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.77
Rot. Bonds6

About 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol

1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol (PubChem CID 106302469) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
PubChem CID106302469
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
SMILESCCn1cnnc1CNCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN4O/c1-2-18-9-16-17-13(18)8-15-7-12(19)10-3-5-11(14)6-4-10/h3-6,9,12,15,19H,2,7-8H2,1H3
InChIKeyHJTUKHJEDPBJCT-UHFFFAOYSA-N
XLogP1.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62118821
1-(2-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302505
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
1-(4-chlorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103777663
1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302792
1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62119737
1-[(4-chlorophenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 111131994
6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 113373334
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106302869
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113232249
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 106302759
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol (CID 106302469) is 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol is CCn1cnnc1CNCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
The InChIKey is HJTUKHJEDPBJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-2-18-9-16-17-13(18)8-15-7-12(19)10-3-5-11(14)6-4-10/h3-6,9,12,15,19H,2,7-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol?
1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol has a molecular weight of 280.76 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 106302469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).