N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

C15H17N3O — CID 107149345

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCc1cnc(CNC2COCc3ccccc32)cn1
InChIInChI=1S/C15H17N3O/c1-11-6-17-13(7-16-11)8-18-15-10-19-9-12-4-2-3-5-14(12)15/h2-7,15,18H,8-10H2,1H3
InChIKeyCIIWVODSBZTHJL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.15
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine

N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149345) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149345
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCc1cnc(CNC2COCc3ccccc32)cn1
InChIInChI=1S/C15H17N3O/c1-11-6-17-13(7-16-11)8-18-15-10-19-9-12-4-2-3-5-14(12)15/h2-7,15,18H,8-10H2,1H3
InChIKeyCIIWVODSBZTHJL-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149232
N-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149444
N-(1,2,4-oxadiazol-3-ylmethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 106393670
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148812
N-[(6-fluoroquinolin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 167777596
N-[(5-methylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079632
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052
N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149374
2-(3,4-dihydro-1H-isochromen-4-ylamino)-2-methylpropane-1,3-diol
CID 107149576
N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149345) is N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is Cc1cnc(CNC2COCc3ccccc32)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is CIIWVODSBZTHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-6-17-13(7-16-11)8-18-15-10-19-9-12-4-2-3-5-14(12)15/h2-7,15,18H,8-10H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).