tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate

C11H15N7O2 — CID 140770591

IUPACtert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2ncnn2)nn1
InChIInChI=1S/C11H15N7O2/c1-11(2,3)20-10(19)12-6-8-4-5-9(16-15-8)18-14-7-13-17-18/h4-5,7H,6H2,1-3H3,(H,12,19)
InChIKeyBCIAAGOMRWHGJK-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.48
Rot. Bonds3

About tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate

tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate (PubChem CID 140770591) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate
PubChem CID140770591
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Nametert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-n2ncnn2)nn1
InChIInChI=1S/C11H15N7O2/c1-11(2,3)20-10(19)12-6-8-4-5-9(16-15-8)18-14-7-13-17-18/h4-5,7H,6H2,1-3H3,(H,12,19)
InChIKeyBCIAAGOMRWHGJK-UHFFFAOYSA-N
XLogP0.48
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
CID 166103677
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[[5-(aminomethyl)thiophen-2-yl]methyl]carbamate
CID 59708483
tert-butyl N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]carbamate
CID 178054648
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
tert-butyl N-[(6-chloropyrido[3,2-c]pyridazin-3-yl)methyl]carbamate
CID 156818946
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]carbamate
CID 23551937
tert-butyl N-[[6-(chloromethyl)-2-pyridinyl]methyl]carbamate
CID 131092103
tert-butyl N-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]carbamate
CID 143835042

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate (CID 140770591) is tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-n2ncnn2)nn1.
What is the InChIKey of tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate?
The InChIKey is BCIAAGOMRWHGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-11(2,3)20-10(19)12-6-8-4-5-9(16-15-8)18-14-7-13-17-18/h4-5,7H,6H2,1-3H3,(H,12,19).
What are the key properties of tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate?
tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate has a molecular weight of 277.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-(tetrazol-2-yl)pyridazin-3-yl]methyl]carbamate is sourced from PubChem (CID 140770591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).