N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C14H20N8 — CID 133477552

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc2nnnn2n1
InChIInChI=1S/C14H20N8/c1-9(11-8-21(14(3,4)5)17-10(11)2)15-12-6-7-13-16-19-20-22(13)18-12/h6-9H,1-5H3,(H,15,18)
InChIKeyUDIBEFGULCIVBG-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133477552) has the molecular formula C14H20N8 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133477552
Molecular FormulaC14H20N8
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc2nnnn2n1
InChIInChI=1S/C14H20N8/c1-9(11-8-21(14(3,4)5)17-10(11)2)15-12-6-7-13-16-19-20-22(13)18-12/h6-9H,1-5H3,(H,15,18)
InChIKeyUDIBEFGULCIVBG-UHFFFAOYSA-N
XLogP1.95
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133477552) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1nn(C(C)(C)C)cc1C(C)Nc1ccc2nnnn2n1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is UDIBEFGULCIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8/c1-9(11-8-21(14(3,4)5)17-10(11)2)15-12-6-7-13-16-19-20-22(13)18-12/h6-9H,1-5H3,(H,15,18).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 300.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133477552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).