N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine

C18H22N6 — CID 95328023

IUPACN-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
SMILESCC(C)c1nnc2n1C[C@H](CNc1cnc3ccccc3n1)CC2
InChIInChI=1S/C18H22N6/c1-12(2)18-23-22-17-8-7-13(11-24(17)18)9-20-16-10-19-14-5-3-4-6-15(14)21-16/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyLNJCMAGQLNDABN-ZDUSSCGKSA-N
MW322.42 g/mol
LogP3.02
Rot. Bonds4

About N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine

N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine (PubChem CID 95328023) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
PubChem CID95328023
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
SMILESCC(C)c1nnc2n1C[C@H](CNc1cnc3ccccc3n1)CC2
InChIInChI=1S/C18H22N6/c1-12(2)18-23-22-17-8-7-13(11-24(17)18)9-20-16-10-19-14-5-3-4-6-15(14)21-16/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyLNJCMAGQLNDABN-ZDUSSCGKSA-N
XLogP3.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 167962937
N-[(2-methyl-3-pyridinyl)methyl]-1-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95305026
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
2-[(S)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329794
2-[(R)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329792
N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
CID 114146705
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
N-[(2-aminocyclohexyl)methyl]quinoxalin-2-amine
CID 64926894
tert-butyl (3R)-3-[(quinoxalin-2-ylamino)methyl]piperidine-1-carboxylate
CID 95929019
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764257

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine (CID 95328023) is N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine is CC(C)c1nnc2n1C[C@H](CNc1cnc3ccccc3n1)CC2.
What is the InChIKey of N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine?
The InChIKey is LNJCMAGQLNDABN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6/c1-12(2)18-23-22-17-8-7-13(11-24(17)18)9-20-16-10-19-14-5-3-4-6-15(14)21-16/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine?
N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine has a molecular weight of 322.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 95328023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).