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

C20H25N5 — CID 133437607

IUPAC3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine
SMILESCCc1nc2n(n1)CC(Nc1c(CC)c(C)nc3ccccc13)CC2
InChIInChI=1S/C20H25N5/c1-4-15-13(3)21-17-9-7-6-8-16(17)20(15)22-14-10-11-19-23-18(5-2)24-25(19)12-14/h6-9,14H,4-5,10-12H2,1-3H3,(H,21,22)
InChIKeyGAMQUYNBFVUZPJ-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.69
Rot. Bonds4

About 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine

3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine (PubChem CID 133437607) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine
PubChem CID133437607
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine
SMILESCCc1nc2n(n1)CC(Nc1c(CC)c(C)nc3ccccc13)CC2
InChIInChI=1S/C20H25N5/c1-4-15-13(3)21-17-9-7-6-8-16(17)20(15)22-14-10-11-19-23-18(5-2)24-25(19)12-14/h6-9,14H,4-5,10-12H2,1-3H3,(H,21,22)
InChIKeyGAMQUYNBFVUZPJ-UHFFFAOYSA-N
XLogP3.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 133281755
3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
CID 133438561
N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide
CID 133281669
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133281716
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[2,3-b]pyrazin-6-amine
CID 133281727
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
(1S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-phenylethanol
CID 95607448
(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
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
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
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine?
The IUPAC name of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine (CID 133437607) is 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine.
What is the SMILES notation for 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine?
The canonical SMILES for 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine is CCc1nc2n(n1)CC(Nc1c(CC)c(C)nc3ccccc13)CC2.
What is the InChIKey of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine?
The InChIKey is GAMQUYNBFVUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-4-15-13(3)21-17-9-7-6-8-16(17)20(15)22-14-10-11-19-23-18(5-2)24-25(19)12-14/h6-9,14H,4-5,10-12H2,1-3H3,(H,21,22).
What are the key properties of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine?
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine has a molecular weight of 335.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylquinolin-4-amine is sourced from PubChem (CID 133437607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).