N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H20N6O — CID 133347406

IUPACN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccc(CNc2ccc3nnnn3n2)c(OC(C)(C)C)c1
InChIInChI=1S/C16H20N6O/c1-11-5-6-12(13(9-11)23-16(2,3)4)10-17-14-7-8-15-18-20-21-22(15)19-14/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyUDQHGSQSXSAUDV-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.62
Rot. Bonds4

About N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133347406) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133347406
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccc(CNc2ccc3nnnn3n2)c(OC(C)(C)C)c1
InChIInChI=1S/C16H20N6O/c1-11-5-6-12(13(9-11)23-16(2,3)4)10-17-14-7-8-15-18-20-21-22(15)19-14/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyUDQHGSQSXSAUDV-UHFFFAOYSA-N
XLogP2.62
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133347406) is N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1ccc(CNc2ccc3nnnn3n2)c(OC(C)(C)C)c1.
What is the InChIKey of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is UDQHGSQSXSAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-5-6-12(13(9-11)23-16(2,3)4)10-17-14-7-8-15-18-20-21-22(15)19-14/h5-9H,10H2,1-4H3,(H,17,19).
What are the key properties of N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 312.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133347406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).