5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine

C19H21N7O — CID 134589404

IUPAC5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1cc(Nc2ncn(-c3cnccn3)n2)cc2c1CCN(C1COC1)C2
InChIInChI=1S/C19H21N7O/c1-13-6-15(7-14-9-25(5-2-17(13)14)16-10-27-11-16)23-19-22-12-26(24-19)18-8-20-3-4-21-18/h3-4,6-8,12,16H,2,5,9-11H2,1H3,(H,23,24)
InChIKeyUQLOGWUAPYCDQT-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.87
Rot. Bonds4

About 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine

5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 134589404) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID134589404
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCc1cc(Nc2ncn(-c3cnccn3)n2)cc2c1CCN(C1COC1)C2
InChIInChI=1S/C19H21N7O/c1-13-6-15(7-14-9-25(5-2-17(13)14)16-10-27-11-16)23-19-22-12-26(24-19)18-8-20-3-4-21-18/h3-4,6-8,12,16H,2,5,9-11H2,1H3,(H,23,24)
InChIKeyUQLOGWUAPYCDQT-UHFFFAOYSA-N
XLogP1.87
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine with MolForge

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Related Compounds

N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 134589882
N-[3-chloro-5-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1-pyrazin-2-yl-1,2,4-triazol-3-amine;molecular hydrogen
CID 157351012
1-[6-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-pyridinyl]-6-[[5-methyl-2-(oxetan-3-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 167201967
1-(3,5-difluorophenyl)-N-[3-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 160631754
1-(3,4-difluorophenyl)-N-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-amine
CID 134589742
N-[3-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1-(2-methylphenyl)-1,2,4-triazol-3-amine;molecular hydrogen
CID 157147839
5-methyl-3-N-[1-(oxetan-3-yl)piperidin-4-yl]-1-N-(1-phenyl-1,2,4-triazol-3-yl)benzene-1,3-diamine;molecular hydrogen
CID 160752053
1-(2,6-difluoro-4-pyridinyl)-N-[3-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 159226670
N-[3-methyl-5-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1-(2,4,5-trifluorophenyl)-1,2,4-triazol-3-amine;molecular hydrogen
CID 161429216
1-N-[1-(3,4-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-3-N-[1-(oxetan-3-yl)piperidin-4-yl]benzene-1,3-diamine;molecular hydrogen
CID 161034014
2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121183729
N-[3-ethyl-5-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 158087927

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine (CID 134589404) is 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine is Cc1cc(Nc2ncn(-c3cnccn3)n2)cc2c1CCN(C1COC1)C2.
What is the InChIKey of 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is UQLOGWUAPYCDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-13-6-15(7-14-9-25(5-2-17(13)14)16-10-27-11-16)23-19-22-12-26(24-19)18-8-20-3-4-21-18/h3-4,6-8,12,16H,2,5,9-11H2,1H3,(H,23,24).
What are the key properties of 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine?
5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 363.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxetan-3-yl)-N-(1-pyrazin-2-yl-1,2,4-triazol-3-yl)-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 134589404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).