[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine

C14H14N4 — CID 82388683

IUPAC[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine
SMILESCc1c[nH]c2ccc(-c3cnncc3CN)cc12
InChIInChI=1S/C14H14N4/c1-9-6-16-14-3-2-10(4-12(9)14)13-8-18-17-7-11(13)5-15/h2-4,6-8,16H,5,15H2,1H3
InChIKeyFRFMJJLDSKLSPI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.39
Rot. Bonds2

About [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine

[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine (PubChem CID 82388683) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine
PubChem CID82388683
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine
SMILESCc1c[nH]c2ccc(-c3cnncc3CN)cc12
InChIInChI=1S/C14H14N4/c1-9-6-16-14-3-2-10(4-12(9)14)13-8-18-17-7-11(13)5-15/h2-4,6-8,16H,5,15H2,1H3
InChIKeyFRFMJJLDSKLSPI-UHFFFAOYSA-N
XLogP2.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine (CID 82388683) is [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine is Cc1c[nH]c2ccc(-c3cnncc3CN)cc12.
What is the InChIKey of [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine?
The InChIKey is FRFMJJLDSKLSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-6-16-14-3-2-10(4-12(9)14)13-8-18-17-7-11(13)5-15/h2-4,6-8,16H,5,15H2,1H3.
What are the key properties of [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine?
[5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine has a molecular weight of 238.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methyl-1H-indol-5-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 82388683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).