N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine

C24H26N6O — CID 71152029

IUPACN-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine
SMILESCc1nc2ccc(CNC3CCC3)cc2n2c(-c3cncc(OCC4CC4)c3)nnc12
InChIInChI=1S/C24H26N6O/c1-15-23-28-29-24(18-10-20(13-25-12-18)31-14-16-5-6-16)30(23)22-9-17(7-8-21(22)27-15)11-26-19-3-2-4-19/h7-10,12-13,16,19,26H,2-6,11,14H2,1H3
InChIKeyCXUDCXWYUYKHFN-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.08
Rot. Bonds7

About N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine

N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine (PubChem CID 71152029) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine
PubChem CID71152029
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine
SMILESCc1nc2ccc(CNC3CCC3)cc2n2c(-c3cncc(OCC4CC4)c3)nnc12
InChIInChI=1S/C24H26N6O/c1-15-23-28-29-24(18-10-20(13-25-12-18)31-14-16-5-6-16)30(23)22-9-17(7-8-21(22)27-15)11-26-19-3-2-4-19/h7-10,12-13,16,19,26H,2-6,11,14H2,1H3
InChIKeyCXUDCXWYUYKHFN-UHFFFAOYSA-N
XLogP4.08
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine 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-[[1-(5-butoxy-2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine
CID 90174758
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
N-[(1-ethyl-2-methylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82497497
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-ethyl-4-methyl-1-pyridin-3-yl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153327
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
8-(cyclopropylmethoxy)-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-amine
CID 66863134
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
4-chloro-2-[5-(cyclohexylmethoxy)-3-pyridinyl]phenol
CID 131970987

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine (CID 71152029) is N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine is Cc1nc2ccc(CNC3CCC3)cc2n2c(-c3cncc(OCC4CC4)c3)nnc12.
What is the InChIKey of N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine?
The InChIKey is CXUDCXWYUYKHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-23-28-29-24(18-10-20(13-25-12-18)31-14-16-5-6-16)30(23)22-9-17(7-8-21(22)27-15)11-26-19-3-2-4-19/h7-10,12-13,16,19,26H,2-6,11,14H2,1H3.
What are the key properties of N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine?
N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine has a molecular weight of 414.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]cyclobutanamine is sourced from PubChem (CID 71152029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).