N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H13N5 — CID 20880735

IUPACN-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc(CNc2ccc3nncn3n2)cc1
InChIInChI=1S/C13H13N5/c1-10-2-4-11(5-3-10)8-14-12-6-7-13-16-15-9-18(13)17-12/h2-7,9H,8H2,1H3,(H,14,17)
InChIKeyAWGGMJUPMMYPGV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.04
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 20880735) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID20880735
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc(CNc2ccc3nncn3n2)cc1
InChIInChI=1S/C13H13N5/c1-10-2-4-11(5-3-10)8-14-12-6-7-13-16-15-9-18(13)17-12/h2-7,9H,8H2,1H3,(H,14,17)
InChIKeyAWGGMJUPMMYPGV-UHFFFAOYSA-N
XLogP2.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20880739
N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
CID 125425135
N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 35270726
(3S)-1-[(4-methylphenyl)methyl]-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)pyrrolidin-2-one
CID 129487980
3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
CID 113041130
6-(4-methylphenoxy)-[1,2,4]triazolo[4,3-b]pyridazine
CID 46202816
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-(pyridin-4-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 112723167
N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
CID 10334318
5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 58338424
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 20880735) is N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1ccc(CNc2ccc3nncn3n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is AWGGMJUPMMYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-10-2-4-11(5-3-10)8-14-12-6-7-13-16-15-9-18(13)17-12/h2-7,9H,8H2,1H3,(H,14,17).
What are the key properties of N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 20880735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).