N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C14H14ClN5 — CID 6493428

IUPACN-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCc2ccc(Cl)cc2)c2nncn2n1
InChIInChI=1S/C14H14ClN5/c1-10-8-13(14-18-17-9-20(14)19-10)16-7-6-11-2-4-12(15)5-3-11/h2-5,8-9,16H,6-7H2,1H3
InChIKeyANMSXJNKBNFCTH-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.74
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 6493428) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID6493428
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCc1cc(NCCc2ccc(Cl)cc2)c2nncn2n1
InChIInChI=1S/C14H14ClN5/c1-10-8-13(14-18-17-9-20(14)19-10)16-7-6-11-2-4-12(15)5-3-11/h2-5,8-9,16H,6-7H2,1H3
InChIKeyANMSXJNKBNFCTH-UHFFFAOYSA-N
XLogP2.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731011
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one
CID 176503642
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
4-N-[2-(4-chlorophenyl)ethyl]-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112922602
N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2-methylquinolin-4-amine
CID 110432981
6-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506808
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
2-[2-(4-chlorophenyl)ethylamino]-6-methylpyridine-4-carbothioamide
CID 114767308
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 6493428) is N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is Cc1cc(NCCc2ccc(Cl)cc2)c2nncn2n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is ANMSXJNKBNFCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-10-8-13(14-18-17-9-20(14)19-10)16-7-6-11-2-4-12(15)5-3-11/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 287.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 6493428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).