1-methyl-5H-pyrido[3,4-b]indol-3-amine

C12H11N3 — CID 101206933

IUPAC1-methyl-5H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c1=NC1=CC=CCC=21
InChIInChI=1S/C12H11N3/c1-7-12-9(6-11(13)14-7)8-4-2-3-5-10(8)15-12/h2-3,5-6H,4,13H2,1H3
InChIKeyDSUTYTLSHDWNFS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.60
Rot. Bonds

About 1-methyl-5H-pyrido[3,4-b]indol-3-amine

1-methyl-5H-pyrido[3,4-b]indol-3-amine (PubChem CID 101206933) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-5H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name1-methyl-5H-pyrido[3,4-b]indol-3-amine
PubChem CID101206933
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-methyl-5H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c1=NC1=CC=CCC=21
InChIInChI=1S/C12H11N3/c1-7-12-9(6-11(13)14-7)8-4-2-3-5-10(8)15-12/h2-3,5-6H,4,13H2,1H3
InChIKeyDSUTYTLSHDWNFS-UHFFFAOYSA-N
XLogP0.60
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-9H-pyrido[4,3-b]indole
CID 15897930
4H-Carbazole
CID 19360791
2H-carbazole
CID 19830578
2,3,4,5-tetrahydro-1H-carbazole
CID 22592025
2-Methylideneindol-1-ium
CID 59596733
6,12-Dimethylindolo[3,2-b]carbazole
CID 66723768
2,4,8,9-tetramethyl-7H-pyrrolo[2,3-h]quinoline
CID 135505015
2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine
CID 155289317
4-Methyl-2-(4-methylcyclopenta[b]pyridin-2-ylidene)cyclopenta[b]pyridine
CID 11250719
3-Amino-1,4-dimethyl-5h-pyrido[3,4-b]indole
CID 101081692
2-Ethyl-3h-pyrrolo[2,3-h]-quinoline
CID 129782376
2,3,6-Trimethylindol-6-amine
CID 18459478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 1-methyl-5H-pyrido[3,4-b]indol-3-amine (CID 101206933) is 1-methyl-5H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 1-methyl-5H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 1-methyl-5H-pyrido[3,4-b]indol-3-amine is Cc1nc(N)cc2c1=NC1=CC=CCC=21.
What is the InChIKey of 1-methyl-5H-pyrido[3,4-b]indol-3-amine?
The InChIKey is DSUTYTLSHDWNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-7-12-9(6-11(13)14-7)8-4-2-3-5-10(8)15-12/h2-3,5-6H,4,13H2,1H3.
What are the key properties of 1-methyl-5H-pyrido[3,4-b]indol-3-amine?
1-methyl-5H-pyrido[3,4-b]indol-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 101206933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).