N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H14ClN7 — CID 59338915

IUPACN-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1cccc(Nc2ccc3nnc(Cn4ccc5cccnc54)n3n2)c1
InChIInChI=1S/C19H14ClN7/c20-14-4-1-5-15(11-14)22-16-6-7-17-23-24-18(27(17)25-16)12-26-10-8-13-3-2-9-21-19(13)26/h1-11H,12H2,(H,22,25)
InChIKeyGOHIBHTUVCTHTC-UHFFFAOYSA-N
MW375.82 g/mol
LogP3.92
Rot. Bonds4

About N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 59338915) has the molecular formula C19H14ClN7 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID59338915
Molecular FormulaC19H14ClN7
Molecular Weight375.82 g/mol
Exact Mass375.10
IUPAC NameN-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESClc1cccc(Nc2ccc3nnc(Cn4ccc5cccnc54)n3n2)c1
InChIInChI=1S/C19H14ClN7/c20-14-4-1-5-15(11-14)22-16-6-7-17-23-24-18(27(17)25-16)12-26-10-8-13-3-2-9-21-19(13)26/h1-11H,12H2,(H,22,25)
InChIKeyGOHIBHTUVCTHTC-UHFFFAOYSA-N
XLogP3.92
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 59338915) is N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Clc1cccc(Nc2ccc3nnc(Cn4ccc5cccnc54)n3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GOHIBHTUVCTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN7/c20-14-4-1-5-15(11-14)22-16-6-7-17-23-24-18(27(17)25-16)12-26-10-8-13-3-2-9-21-19(13)26/h1-11H,12H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 375.82 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(pyrrolo[2,3-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 59338915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).