2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile

C23H25N5O — CID 119126415

IUPAC2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile
SMILESCCc1nc2n(n1)CC(NCc1cccc(OCc3ccccc3C#N)c1)CC2
InChIInChI=1S/C23H25N5O/c1-2-22-26-23-11-10-20(15-28(23)27-22)25-14-17-6-5-9-21(12-17)29-16-19-8-4-3-7-18(19)13-24/h3-9,12,20,25H,2,10-11,14-16H2,1H3
InChIKeyWRYRHWXUQATZGE-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.40
Rot. Bonds7

About 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile

2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile (PubChem CID 119126415) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile
PubChem CID119126415
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile
SMILESCCc1nc2n(n1)CC(NCc1cccc(OCc3ccccc3C#N)c1)CC2
InChIInChI=1S/C23H25N5O/c1-2-22-26-23-11-10-20(15-28(23)27-22)25-14-17-6-5-9-21(12-17)29-16-19-8-4-3-7-18(19)13-24/h3-9,12,20,25H,2,10-11,14-16H2,1H3
InChIKeyWRYRHWXUQATZGE-UHFFFAOYSA-N
XLogP3.40
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile with MolForge

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Related Compounds

4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034
2-[[3-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenoxy]methyl]benzonitrile
CID 119126366
3-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124039
N-[(4-butoxy-3-ethoxyphenyl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127553
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
2-[[3-[(2-ethylsulfonylethylamino)methyl]phenoxy]methyl]benzonitrile
CID 119126397
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
(6R)-2-ethyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329760
(6R)-2-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95324546
(6S)-2-ethyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329761
3-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772885
N-(3-cyanothiophen-2-yl)-2-[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
CID 95329111

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile (CID 119126415) is 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile is CCc1nc2n(n1)CC(NCc1cccc(OCc3ccccc3C#N)c1)CC2.
What is the InChIKey of 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile?
The InChIKey is WRYRHWXUQATZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-22-26-23-11-10-20(15-28(23)27-22)25-14-17-6-5-9-21(12-17)29-16-19-8-4-3-7-18(19)13-24/h3-9,12,20,25H,2,10-11,14-16H2,1H3.
What are the key properties of 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile?
2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile has a molecular weight of 387.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 119126415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).