2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine

C22H29N3 — CID 22474421

IUPAC2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
SMILESCCC(CC)Nc1cc(C)nn2c(-c3c(C)cc(C)cc3C)ccc12
InChIInChI=1S/C22H29N3/c1-7-18(8-2)23-19-13-17(6)24-25-20(19)9-10-21(25)22-15(4)11-14(3)12-16(22)5/h9-13,18,23H,7-8H2,1-6H3
InChIKeyAZINXWDPBWDNRQ-UHFFFAOYSA-N
MW335.50 g/mol
LogP5.84
Rot. Bonds5

About 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine

2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine (PubChem CID 22474421) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
PubChem CID22474421
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC Name2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine
SMILESCCC(CC)Nc1cc(C)nn2c(-c3c(C)cc(C)cc3C)ccc12
InChIInChI=1S/C22H29N3/c1-7-18(8-2)23-19-13-17(6)24-25-20(19)9-10-21(25)22-15(4)11-14(3)12-16(22)5/h9-13,18,23H,7-8H2,1-6H3
InChIKeyAZINXWDPBWDNRQ-UHFFFAOYSA-N
XLogP5.84
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine?
The IUPAC name of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine (CID 22474421) is 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine.
What is the SMILES notation for 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine?
The canonical SMILES for 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine is CCC(CC)Nc1cc(C)nn2c(-c3c(C)cc(C)cc3C)ccc12.
What is the InChIKey of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine?
The InChIKey is AZINXWDPBWDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-7-18(8-2)23-19-13-17(6)24-25-20(19)9-10-21(25)22-15(4)11-14(3)12-16(22)5/h9-13,18,23H,7-8H2,1-6H3.
What are the key properties of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine?
2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine has a molecular weight of 335.50 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)pyrrolo[1,2-b]pyridazin-4-amine is sourced from PubChem (CID 22474421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).