tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate

C11H17N7O2 — CID 47453715

IUPACtert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2nnnn2n1
InChIInChI=1S/C11H17N7O2/c1-11(2,3)20-10(19)13-7-6-12-8-4-5-9-14-16-17-18(9)15-8/h4-5H,6-7H2,1-3H3,(H,12,15)(H,13,19)
InChIKeyMKRTWGSIZARISN-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.46
Rot. Bonds4

About tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate

tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate (PubChem CID 47453715) has the molecular formula C11H17N7O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
PubChem CID47453715
Molecular FormulaC11H17N7O2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Nametert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1ccc2nnnn2n1
InChIInChI=1S/C11H17N7O2/c1-11(2,3)20-10(19)13-7-6-12-8-4-5-9-14-16-17-18(9)15-8/h4-5H,6-7H2,1-3H3,(H,12,15)(H,13,19)
InChIKeyMKRTWGSIZARISN-UHFFFAOYSA-N
XLogP0.46
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
tert-butyl N-[2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]ethyl]carbamate
CID 115669050
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
CID 67159691
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate (CID 47453715) is tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1ccc2nnnn2n1.
What is the InChIKey of tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate?
The InChIKey is MKRTWGSIZARISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2/c1-11(2,3)20-10(19)13-7-6-12-8-4-5-9-14-16-17-18(9)15-8/h4-5H,6-7H2,1-3H3,(H,12,15)(H,13,19).
What are the key properties of tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate?
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate has a molecular weight of 279.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate is sourced from PubChem (CID 47453715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).