4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol

C11H18N6O — CID 103746128

IUPAC4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ccc2nnnn2n1
InChIInChI=1S/C11H18N6O/c1-11(2,3)8(6-7-18)12-9-4-5-10-13-15-16-17(10)14-9/h4-5,8,18H,6-7H2,1-3H3,(H,12,14)
InChIKeyIRLYBKNBDOAUAY-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.73
Rot. Bonds4

About 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol

4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol (PubChem CID 103746128) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol
PubChem CID103746128
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ccc2nnnn2n1
InChIInChI=1S/C11H18N6O/c1-11(2,3)8(6-7-18)12-9-4-5-10-13-15-16-17(10)14-9/h4-5,8,18H,6-7H2,1-3H3,(H,12,14)
InChIKeyIRLYBKNBDOAUAY-UHFFFAOYSA-N
XLogP0.73
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol (CID 103746128) is 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol is CC(C)(C)C(CCO)Nc1ccc2nnnn2n1.
What is the InChIKey of 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol?
The InChIKey is IRLYBKNBDOAUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-11(2,3)8(6-7-18)12-9-4-5-10-13-15-16-17(10)14-9/h4-5,8,18H,6-7H2,1-3H3,(H,12,14).
What are the key properties of 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol?
4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol has a molecular weight of 250.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol is sourced from PubChem (CID 103746128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).