N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C21H23FN4O2 — CID 119127514

IUPACN-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1cc(CNC2CCc3ncnn3C2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2/c1-27-20-10-16(11-23-18-7-9-21-24-14-25-26(21)12-18)4-8-19(20)28-13-15-2-5-17(22)6-3-15/h2-6,8,10,14,18,23H,7,9,11-13H2,1H3
InChIKeyLECRYWSOTRMXKV-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.11
Rot. Bonds7

About N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 119127514) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID119127514
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1cc(CNC2CCc3ncnn3C2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4O2/c1-27-20-10-16(11-23-18-7-9-21-24-14-25-26(21)12-18)4-8-19(20)28-13-15-2-5-17(22)6-3-15/h2-6,8,10,14,18,23H,7,9,11-13H2,1H3
InChIKeyLECRYWSOTRMXKV-UHFFFAOYSA-N
XLogP3.11
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine
CID 119124222
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
CID 126767732
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclooctanamine
CID 66529406
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17292580

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 119127514) is N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COc1cc(CNC2CCc3ncnn3C2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is LECRYWSOTRMXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-27-20-10-16(11-23-18-7-9-21-24-14-25-26(21)12-18)4-8-19(20)28-13-15-2-5-17(22)6-3-15/h2-6,8,10,14,18,23H,7,9,11-13H2,1H3.
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 382.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 119127514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).