N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H15FN8 — CID 71860579

IUPACN-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1nccn1-c1ccc(C(C)Nc2ccc3nnnn3n2)cc1F
InChIInChI=1S/C16H15FN8/c1-10(19-15-5-6-16-20-22-23-25(16)21-15)12-3-4-14(13(17)9-12)24-8-7-18-11(24)2/h3-10H,1-2H3,(H,19,21)
InChIKeyIOAYSCWCFTVGHK-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.33
Rot. Bonds4

About N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 71860579) has the molecular formula C16H15FN8 and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID71860579
Molecular FormulaC16H15FN8
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC NameN-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1nccn1-c1ccc(C(C)Nc2ccc3nnnn3n2)cc1F
InChIInChI=1S/C16H15FN8/c1-10(19-15-5-6-16-20-22-23-25(16)21-15)12-3-4-14(13(17)9-12)24-8-7-18-11(24)2/h3-10H,1-2H3,(H,19,21)
InChIKeyIOAYSCWCFTVGHK-UHFFFAOYSA-N
XLogP2.33
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 42949518
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47371000
(7S,8aS)-N-[(1S)-1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 129422390
methyl (2S)-2-[2-[[(1R)-1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]carbamoyl]phenyl]sulfanylpropanoate
CID 96530146
1-(4-azido-2-fluorophenyl)-2-methylimidazole
CID 150220132
1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 61404968
N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 166234038
N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40792426
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40939556

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 71860579) is N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1nccn1-c1ccc(C(C)Nc2ccc3nnnn3n2)cc1F.
What is the InChIKey of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is IOAYSCWCFTVGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN8/c1-10(19-15-5-6-16-20-22-23-25(16)21-15)12-3-4-14(13(17)9-12)24-8-7-18-11(24)2/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 338.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 71860579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).