2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol

C15H22N4O — CID 1251433

IUPAC2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol
SMILESCCN(CC)CCn1nc(C)nc1-c1ccccc1O
InChIInChI=1S/C15H22N4O/c1-4-18(5-2)10-11-19-15(16-12(3)17-19)13-8-6-7-9-14(13)20/h6-9,20H,4-5,10-11H2,1-3H3
InChIKeyCHOWNNFCURRWMZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.30
Rot. Bonds6

About 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol

2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol (PubChem CID 1251433) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol
PubChem CID1251433
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol
SMILESCCN(CC)CCn1nc(C)nc1-c1ccccc1O
InChIInChI=1S/C15H22N4O/c1-4-18(5-2)10-11-19-15(16-12(3)17-19)13-8-6-7-9-14(13)20/h6-9,20H,4-5,10-11H2,1-3H3
InChIKeyCHOWNNFCURRWMZ-UHFFFAOYSA-N
XLogP2.30
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 2312645
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
2-(5,6-Dihydro-6-methylthiazolo(2,3-c)-1,2,4-triazol-3-yl)phenol
CID 355466
2-(4H-1,2,4-triazol-3-yl)phenol
CID 136008534
5-(2-hydroxyphenyl)-N,N,3-trimethyl-1H-1,2,4-triazole-1-sulfonamide
CID 940797
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
[4-Benzyl-5-(2-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 3168998
2-[4-Amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
CID 136502357
[5-(2-Hydroxy-phenyl)-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetonitrile
CID 655666

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol (CID 1251433) is 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol is CCN(CC)CCn1nc(C)nc1-c1ccccc1O.
What is the InChIKey of 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is CHOWNNFCURRWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-18(5-2)10-11-19-15(16-12(3)17-19)13-8-6-7-9-14(13)20/h6-9,20H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol?
2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 274.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethyl]-5-methyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 1251433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).