N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H16N8O — CID 40939556

IUPACN-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccc([C@H](Nc2ccc3nnnn3n2)c2nccn2C)cc1
InChIInChI=1S/C16H16N8O/c1-23-10-9-17-16(23)15(11-3-5-12(25-2)6-4-11)18-13-7-8-14-19-21-22-24(14)20-13/h3-10,15H,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyWXSDUEQRJSUVAY-HNNXBMFYSA-N
MW336.36 g/mol
LogP1.46
Rot. Bonds5

About N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 40939556) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID40939556
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCOc1ccc([C@H](Nc2ccc3nnnn3n2)c2nccn2C)cc1
InChIInChI=1S/C16H16N8O/c1-23-10-9-17-16(23)15(11-3-5-12(25-2)6-4-11)18-13-7-8-14-19-21-22-24(14)20-13/h3-10,15H,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyWXSDUEQRJSUVAY-HNNXBMFYSA-N
XLogP1.46
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40792426
6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyrazine-2-carboxamide
CID 96566827
4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 42941869
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
2-fluoro-6-[[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 35784561
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 42924364
(2R)-4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 97321749
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166349121
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
5-[(4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466261
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 40939556) is N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is COc1ccc([C@H](Nc2ccc3nnnn3n2)c2nccn2C)cc1.
What is the InChIKey of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is WXSDUEQRJSUVAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-23-10-9-17-16(23)15(11-3-5-12(25-2)6-4-11)18-13-7-8-14-19-21-22-24(14)20-13/h3-10,15H,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 336.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 40939556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).