N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H17N5 — CID 105358113

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(NCc3ccc4c(c3)CNC4)nc2c1
InChIInChI=1S/C16H17N5/c1-11-4-5-21-15(6-11)19-16(20-21)18-8-12-2-3-13-9-17-10-14(13)7-12/h2-7,17H,8-10H2,1H3,(H,18,20)
InChIKeyPKEUHVHRUPVYOH-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.25
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 105358113) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID105358113
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(NCc3ccc4c(c3)CNC4)nc2c1
InChIInChI=1S/C16H17N5/c1-11-4-5-21-15(6-11)19-16(20-21)18-8-12-2-3-13-9-17-10-14(13)7-12/h2-7,17H,8-10H2,1H3,(H,18,20)
InChIKeyPKEUHVHRUPVYOH-UHFFFAOYSA-N
XLogP2.25
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 105358167
2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]phenol
CID 114332664
7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83025761
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
CID 114252253
7-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 80688541
7-methyl-N-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026136
(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 116989782
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 105357862
N-cycloheptyl-N'-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethane-1,2-diamine
CID 115306802
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 105357866
[1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]cyclohexyl]methanol
CID 103967254
7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 105358113) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccn2nc(NCc3ccc4c(c3)CNC4)nc2c1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is PKEUHVHRUPVYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-4-5-21-15(6-11)19-16(20-21)18-8-12-2-3-13-9-17-10-14(13)7-12/h2-7,17H,8-10H2,1H3,(H,18,20).
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 105358113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).