N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C17H20N6O — CID 124721773

IUPACN-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(c1ccc2nnnn2n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C
InChIInChI=1S/C17H20N6O/c1-17(2)13(11-14(17)24-12-7-5-4-6-8-12)22(3)16-10-9-15-18-20-21-23(15)19-16/h4-10,13-14H,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyAICDCWNEYYSUAN-UONOGXRCSA-N
MW324.39 g/mol
LogP2.20
Rot. Bonds4

About N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 124721773) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID124721773
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(c1ccc2nnnn2n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C
InChIInChI=1S/C17H20N6O/c1-17(2)13(11-14(17)24-12-7-5-4-6-8-12)22(3)16-10-9-15-18-20-21-23(15)19-16/h4-10,13-14H,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyAICDCWNEYYSUAN-UONOGXRCSA-N
XLogP2.20
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 40106308
6-[4-[2-(4-Methoxyphenyl)ethyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 40106324
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17416068
N-(2-phenoxyethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 34013946
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 45834138
6-[4-(2,4-Difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 136577684
6-[4-(3-Fluorophenoxy)piperidin-1-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 177019880
N-[2-(4-fluorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17420307
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 18133565
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 31661549
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 45802270
N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47520069

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 124721773) is N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(c1ccc2nnnn2n1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C.
What is the InChIKey of N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is AICDCWNEYYSUAN-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(2)13(11-14(17)24-12-7-5-4-6-8-12)22(3)16-10-9-15-18-20-21-23(15)19-16/h4-10,13-14H,11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 124721773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).