3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile

C15H14N4O — CID 133361670

IUPAC3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
SMILESCOc1cccc2c1CCC2Nc1nccnc1C#N
InChIInChI=1S/C15H14N4O/c1-20-14-4-2-3-10-11(14)5-6-12(10)19-15-13(9-16)17-7-8-18-15/h2-4,7-8,12H,5-6H2,1H3,(H,18,19)
InChIKeyWMTYQGQGCZBDOX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.46
Rot. Bonds3

About 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile

3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile (PubChem CID 133361670) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
PubChem CID133361670
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
SMILESCOc1cccc2c1CCC2Nc1nccnc1C#N
InChIInChI=1S/C15H14N4O/c1-20-14-4-2-3-10-11(14)5-6-12(10)19-15-13(9-16)17-7-8-18-15/h2-4,7-8,12H,5-6H2,1H3,(H,18,19)
InChIKeyWMTYQGQGCZBDOX-UHFFFAOYSA-N
XLogP2.46
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-2-amine
CID 133361766
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133361642
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 133361794
4-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 133361598
4-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxybenzonitrile
CID 146294647
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
6-tert-butylsulfonyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 133361710
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133361669
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103930811
[1-[6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133361728
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile (CID 133361670) is 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile is COc1cccc2c1CCC2Nc1nccnc1C#N.
What is the InChIKey of 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is WMTYQGQGCZBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-14-4-2-3-10-11(14)5-6-12(10)19-15-13(9-16)17-7-8-18-15/h2-4,7-8,12H,5-6H2,1H3,(H,18,19).
What are the key properties of 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile?
3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133361670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).