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

C12H11N3 — CID 5284476

IUPAC1-methyl-5H-pyrido[4,3-b]indol-3-amine
SMILESCc1nc(N)cc2[nH]c3ccccc3c12
InChIInChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)
InChIKeyLKKMLIBUAXYLOY-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.61
Rot. Bonds

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

1-methyl-5H-pyrido[4,3-b]indol-3-amine (PubChem CID 5284476) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-5H-pyrido[4,3-b]indol-3-amine.

Molecular Properties

Compound Name1-methyl-5H-pyrido[4,3-b]indol-3-amine
PubChem CID5284476
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-methyl-5H-pyrido[4,3-b]indol-3-amine
SMILESCc1nc(N)cc2[nH]c3ccccc3c12
InChIInChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14)
InChIKeyLKKMLIBUAXYLOY-UHFFFAOYSA-N
XLogP2.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5H-pyrido[4,3-b]indol-3-amine?
The IUPAC name of 1-methyl-5H-pyrido[4,3-b]indol-3-amine (CID 5284476) is 1-methyl-5H-pyrido[4,3-b]indol-3-amine.
What is the SMILES notation for 1-methyl-5H-pyrido[4,3-b]indol-3-amine?
The canonical SMILES for 1-methyl-5H-pyrido[4,3-b]indol-3-amine is Cc1nc(N)cc2[nH]c3ccccc3c12.
What is the InChIKey of 1-methyl-5H-pyrido[4,3-b]indol-3-amine?
The InChIKey is LKKMLIBUAXYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(13)14-7/h2-6,15H,1H3,(H2,13,14).
What are the key properties of 1-methyl-5H-pyrido[4,3-b]indol-3-amine?
1-methyl-5H-pyrido[4,3-b]indol-3-amine has a molecular weight of 197.24 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5H-pyrido[4,3-b]indol-3-amine is sourced from PubChem (CID 5284476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).