N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine

C18H23N5 — CID 154866863

IUPACN-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine
SMILESc1ccc(-c2ncnc(NC3CCCN4CCCCC34)n2)cc1
InChIInChI=1S/C18H23N5/c1-2-7-14(8-3-1)17-19-13-20-18(22-17)21-15-9-6-12-23-11-5-4-10-16(15)23/h1-3,7-8,13,15-16H,4-6,9-12H2,(H,19,20,21,22)
InChIKeyZIWJRTOBJXOHOZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.97
Rot. Bonds3

About N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine

N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine (PubChem CID 154866863) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine.

Molecular Properties

Compound NameN-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine
PubChem CID154866863
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine
SMILESc1ccc(-c2ncnc(NC3CCCN4CCCCC34)n2)cc1
InChIInChI=1S/C18H23N5/c1-2-7-14(8-3-1)17-19-13-20-18(22-17)21-15-9-6-12-23-11-5-4-10-16(15)23/h1-3,7-8,13,15-16H,4-6,9-12H2,(H,19,20,21,22)
InChIKeyZIWJRTOBJXOHOZ-UHFFFAOYSA-N
XLogP2.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
CID 116795790
N-[(1R,2S)-2-piperidin-1-ylcyclopentyl]aniline
CID 86338512
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine
CID 154866858
(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 167750402
(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
CID 80784788
2-[4-[(1S,2S)-2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]amino]cyclohexyl]piperazin-1-yl]ethanol
CID 66904102
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]thieno[2,3-d]pyrimidin-4-amine
CID 94181560
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 55136077
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824696
(1S,9aR)-1-(2-phenylbenzimidazol-1-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 118711104
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 75403364

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine?
The IUPAC name of N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine (CID 154866863) is N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine.
What is the SMILES notation for N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine?
The canonical SMILES for N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine is c1ccc(-c2ncnc(NC3CCCN4CCCCC34)n2)cc1.
What is the InChIKey of N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine?
The InChIKey is ZIWJRTOBJXOHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-7-14(8-3-1)17-19-13-20-18(22-17)21-15-9-6-12-23-11-5-4-10-16(15)23/h1-3,7-8,13,15-16H,4-6,9-12H2,(H,19,20,21,22).
What are the key properties of N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine?
N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3,5-triazin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-amine is sourced from PubChem (CID 154866863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).