N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine

C18H21N5O — CID 133369039

IUPACN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
SMILESCOCc1nc2n(n1)CC(Nc1ccnc3c(C)cccc13)CC2
InChIInChI=1S/C18H21N5O/c1-12-4-3-5-14-15(8-9-19-18(12)14)20-13-6-7-17-21-16(11-24-2)22-23(17)10-13/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyJHEDXICOOLUOSM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine

N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine (PubChem CID 133369039) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
PubChem CID133369039
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine
SMILESCOCc1nc2n(n1)CC(Nc1ccnc3c(C)cccc13)CC2
InChIInChI=1S/C18H21N5O/c1-12-4-3-5-14-15(8-9-19-18(12)14)20-13-6-7-17-21-16(11-24-2)22-23(17)10-13/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,19,20)
InChIKeyJHEDXICOOLUOSM-UHFFFAOYSA-N
XLogP2.71
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine with MolForge

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Related Compounds

6,8-difluoro-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinolin-4-amine
CID 133494527
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
CID 133281768
(6R)-2-(methoxymethyl)-N-(3-methyl-4-nitrophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 97223951
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401455
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 127457813
8-methyl-N-(thian-3-yl)quinolin-4-amine
CID 133368635
ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
CID 166202903
8-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinolin-4-amine
CID 133394499
2-(methoxymethyl)-N-(3-phenylmethoxybutan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 126835902
N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide
CID 124614996
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]guanidine
CID 110059354

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine?
The IUPAC name of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine (CID 133369039) is N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine.
What is the SMILES notation for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine?
The canonical SMILES for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine is COCc1nc2n(n1)CC(Nc1ccnc3c(C)cccc13)CC2.
What is the InChIKey of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine?
The InChIKey is JHEDXICOOLUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-4-3-5-14-15(8-9-19-18(12)14)20-13-6-7-17-21-16(11-24-2)22-23(17)10-13/h3-5,8-9,13H,6-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine?
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-8-methylquinolin-4-amine is sourced from PubChem (CID 133369039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).