N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine

C17H21N5O — CID 134420885

IUPACN-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine
SMILESc1cc2c(cc1Nc1nc(C3CC3)no1)CCN1CCNCC21
InChIInChI=1S/C17H21N5O/c1-2-11(1)16-20-17(23-21-16)19-13-3-4-14-12(9-13)5-7-22-8-6-18-10-15(14)22/h3-4,9,11,15,18H,1-2,5-8,10H2,(H,19,20,21)
InChIKeyALIAIBVRRQZFEH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.19
Rot. Bonds3

About N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine

N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine (PubChem CID 134420885) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine
PubChem CID134420885
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine
SMILESc1cc2c(cc1Nc1nc(C3CC3)no1)CCN1CCNCC21
InChIInChI=1S/C17H21N5O/c1-2-11(1)16-20-17(23-21-16)19-13-3-4-14-12(9-13)5-7-22-8-6-18-10-15(14)22/h3-4,9,11,15,18H,1-2,5-8,10H2,(H,19,20,21)
InChIKeyALIAIBVRRQZFEH-UHFFFAOYSA-N
XLogP2.19
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

(11bS)-N-[2-(trifluoromethyl)pyrimidin-4-yl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-amine
CID 118912039
(11bR)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-amine
CID 118912043
N-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]-4-chlorobenzamide
CID 129137402
9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 134420882
10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
CID 121003869
N-(6-chloro-3-pyridinyl)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide;hydrochloride
CID 140788036
(11bR)-9-[(5-ethylpyrimidin-2-yl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 147981289
1-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]-3-(4-methylphenyl)propan-2-one
CID 146740295
6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine
CID 147421152
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
(11bR)-N-[(3-methylphenyl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
CID 129150406
(1S)-5-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),3-diene
CID 97102708

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine (CID 134420885) is N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine is c1cc2c(cc1Nc1nc(C3CC3)no1)CCN1CCNCC21.
What is the InChIKey of N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ALIAIBVRRQZFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-11(1)16-20-17(23-21-16)19-13-3-4-14-12(9-13)5-7-22-8-6-18-10-15(14)22/h3-4,9,11,15,18H,1-2,5-8,10H2,(H,19,20,21).
What are the key properties of N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine?
N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine has a molecular weight of 311.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 134420885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).