1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol

C24H33N5O — CID 154120007

IUPAC1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
SMILESCCN(CC)c1ccc(-c2nnc(-c3ccc(N(CC)CC)cc3)n2C(C)O)cc1
InChIInChI=1S/C24H33N5O/c1-6-27(7-2)21-14-10-19(11-15-21)23-25-26-24(29(23)18(5)30)20-12-16-22(17-13-20)28(8-3)9-4/h10-18,30H,6-9H2,1-5H3
InChIKeyALJVFDIHBBRASK-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.82
Rot. Bonds9

About 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol

1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol (PubChem CID 154120007) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
PubChem CID154120007
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol
SMILESCCN(CC)c1ccc(-c2nnc(-c3ccc(N(CC)CC)cc3)n2C(C)O)cc1
InChIInChI=1S/C24H33N5O/c1-6-27(7-2)21-14-10-19(11-15-21)23-25-26-24(29(23)18(5)30)20-12-16-22(17-13-20)28(8-3)9-4/h10-18,30H,6-9H2,1-5H3
InChIKeyALJVFDIHBBRASK-UHFFFAOYSA-N
XLogP4.82
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)aniline
CID 4798109
N-tert-butyl-2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46619156
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
(2S)-2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 94811345
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 30309426
5-[4-(diethylamino)phenyl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 3744012
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344
2-[[5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 17267363
2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-difluorophenyl)ethanol
CID 112839926
4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453264
N,N-diethyl-4-[4-ethyl-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]aniline
CID 55574760

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol (CID 154120007) is 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol is CCN(CC)c1ccc(-c2nnc(-c3ccc(N(CC)CC)cc3)n2C(C)O)cc1.
What is the InChIKey of 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol?
The InChIKey is ALJVFDIHBBRASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-6-27(7-2)21-14-10-19(11-15-21)23-25-26-24(29(23)18(5)30)20-12-16-22(17-13-20)28(8-3)9-4/h10-18,30H,6-9H2,1-5H3.
What are the key properties of 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol?
1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol has a molecular weight of 407.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[4-(diethylamino)phenyl]-1,2,4-triazol-4-yl]ethanol is sourced from PubChem (CID 154120007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).