1-amino-6-methylisoquinoline-4-carbonitrile

C11H9N3 — CID 84659038

IUPAC1-amino-6-methylisoquinoline-4-carbonitrile
SMILESCc1ccc2c(N)ncc(C#N)c2c1
InChIInChI=1S/C11H9N3/c1-7-2-3-9-10(4-7)8(5-12)6-14-11(9)13/h2-4,6H,1H3,(H2,13,14)
InChIKeyBQQLCLDOBPISGL-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.00
Rot. Bonds

About 1-amino-6-methylisoquinoline-4-carbonitrile

1-amino-6-methylisoquinoline-4-carbonitrile (PubChem CID 84659038) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-amino-6-methylisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name1-amino-6-methylisoquinoline-4-carbonitrile
PubChem CID84659038
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name1-amino-6-methylisoquinoline-4-carbonitrile
SMILESCc1ccc2c(N)ncc(C#N)c2c1
InChIInChI=1S/C11H9N3/c1-7-2-3-9-10(4-7)8(5-12)6-14-11(9)13/h2-4,6H,1H3,(H2,13,14)
InChIKeyBQQLCLDOBPISGL-UHFFFAOYSA-N
XLogP2.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-6-methylquinoline-3-carbonitrile
CID 105482297
6-methyl-4-phenylquinoline-3-carbonitrile
CID 141436065
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
6-amino-5-iodo-4-methylpyridine-3-carbonitrile
CID 131521959
2-iodo-4-methylbenzonitrile
CID 23395165
7-methylisoquinolin-1-amine
CID 18727905
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-4-methylbenzonitrile
CID 62302645
3-methylquinoline-5-carbonitrile
CID 23510421
ethane;2-iodo-4-methylbenzonitrile
CID 143801639
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
2-amino-3-methoxypyridine-4-carbonitrile
CID 119008988

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methylisoquinoline-4-carbonitrile?
The IUPAC name of 1-amino-6-methylisoquinoline-4-carbonitrile (CID 84659038) is 1-amino-6-methylisoquinoline-4-carbonitrile.
What is the SMILES notation for 1-amino-6-methylisoquinoline-4-carbonitrile?
The canonical SMILES for 1-amino-6-methylisoquinoline-4-carbonitrile is Cc1ccc2c(N)ncc(C#N)c2c1.
What is the InChIKey of 1-amino-6-methylisoquinoline-4-carbonitrile?
The InChIKey is BQQLCLDOBPISGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-7-2-3-9-10(4-7)8(5-12)6-14-11(9)13/h2-4,6H,1H3,(H2,13,14).
What are the key properties of 1-amino-6-methylisoquinoline-4-carbonitrile?
1-amino-6-methylisoquinoline-4-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methylisoquinoline-4-carbonitrile is sourced from PubChem (CID 84659038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).