(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine

C21H30N6O — CID 118247869

IUPAC(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
SMILESCOc1ccc([C@@H](C)N[C@@H]2CCCC23CCN(c2nncc(N)n2)CC3)cc1
InChIInChI=1S/C21H30N6O/c1-15(16-5-7-17(28-2)8-6-16)24-18-4-3-9-21(18)10-12-27(13-11-21)20-25-19(22)14-23-26-20/h5-8,14-15,18,24H,3-4,9-13H2,1-2H3,(H2,22,25,26)/t15-,18-/m1/s1
InChIKeyMHRBPZLEPSZHFJ-CRAIPNDOSA-N
MW382.51 g/mol
LogP2.95
Rot. Bonds5

About (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247869) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
PubChem CID118247869
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
SMILESCOc1ccc([C@@H](C)N[C@@H]2CCCC23CCN(c2nncc(N)n2)CC3)cc1
InChIInChI=1S/C21H30N6O/c1-15(16-5-7-17(28-2)8-6-16)24-18-4-3-9-21(18)10-12-27(13-11-21)20-25-19(22)14-23-26-20/h5-8,14-15,18,24H,3-4,9-13H2,1-2H3,(H2,22,25,26)/t15-,18-/m1/s1
InChIKeyMHRBPZLEPSZHFJ-CRAIPNDOSA-N
XLogP2.95
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

(4R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine
CID 118247870
N-[1-(4-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952051
6-(benzhydrylideneamino)-2-[4-[1-(4-methoxyphenyl)ethylamino]-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
CID 123370164
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79857327
3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 151535013
3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938778
N-[(1S)-1-(3-methoxyphenyl)ethyl]spiro[3.5]nonan-3-amine
CID 102952169
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43683824
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81368051
(4S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-oxa-8-azaspiro[4.5]decan-4-amine
CID 125482649
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine (CID 118247869) is (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine is COc1ccc([C@@H](C)N[C@@H]2CCCC23CCN(c2nncc(N)n2)CC3)cc1.
What is the InChIKey of (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is MHRBPZLEPSZHFJ-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15(16-5-7-17(28-2)8-6-16)24-18-4-3-9-21(18)10-12-27(13-11-21)20-25-19(22)14-23-26-20/h5-8,14-15,18,24H,3-4,9-13H2,1-2H3,(H2,22,25,26)/t15-,18-/m1/s1.
What are the key properties of (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 382.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(5-amino-1,2,4-triazin-3-yl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).