2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol

C19H23N5O2 — CID 170509641

IUPAC2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccc(CN(C)Cc2cccnc2)cc1-c1ncn(CCO)n1
InChIInChI=1S/C19H23N5O2/c1-23(13-16-4-3-7-20-11-16)12-15-5-6-18(26-2)17(10-15)19-21-14-24(22-19)8-9-25/h3-7,10-11,14,25H,8-9,12-13H2,1-2H3
InChIKeyKGNRDSANWQKMBO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.97
Rot. Bonds8

About 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol

2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 170509641) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID170509641
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccc(CN(C)Cc2cccnc2)cc1-c1ncn(CCO)n1
InChIInChI=1S/C19H23N5O2/c1-23(13-16-4-3-7-20-11-16)12-15-5-6-18(26-2)17(10-15)19-21-14-24(22-19)8-9-25/h3-7,10-11,14,25H,8-9,12-13H2,1-2H3
InChIKeyKGNRDSANWQKMBO-UHFFFAOYSA-N
XLogP1.97
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
CID 165425270
1-[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-4-methoxyphenyl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 172674047
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 28562159
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 71874191
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 42480956
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
2-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78806852
4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78886268
1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 74237501

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol (CID 170509641) is 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol is COc1ccc(CN(C)Cc2cccnc2)cc1-c1ncn(CCO)n1.
What is the InChIKey of 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is KGNRDSANWQKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23(13-16-4-3-7-20-11-16)12-15-5-6-18(26-2)17(10-15)19-21-14-24(22-19)8-9-25/h3-7,10-11,14,25H,8-9,12-13H2,1-2H3.
What are the key properties of 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 353.43 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 170509641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).