2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol

C11H18N6O — CID 113334685

IUPAC2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc2nnnn2n1
InChIInChI=1S/C11H18N6O/c1-3-11(4-2,8-18)7-12-9-5-6-10-13-15-16-17(10)14-9/h5-6,18H,3-4,7-8H2,1-2H3,(H,12,14)
InChIKeyDPFOEZZUQQUXKR-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.73
Rot. Bonds6

About 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol

2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol (PubChem CID 113334685) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
PubChem CID113334685
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc2nnnn2n1
InChIInChI=1S/C11H18N6O/c1-3-11(4-2,8-18)7-12-9-5-6-10-13-15-16-17(10)14-9/h5-6,18H,3-4,7-8H2,1-2H3,(H,12,14)
InChIKeyDPFOEZZUQQUXKR-UHFFFAOYSA-N
XLogP0.73
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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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Related Compounds

N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
CID 113320128
N-(2-methyl-2-morpholin-4-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17449664
4,4-dimethyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)pentan-1-ol
CID 103746128
2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
CID 106254988
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34009199
N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 133312537
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol (CID 113334685) is 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol is CCC(CC)(CO)CNc1ccc2nnnn2n1.
What is the InChIKey of 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol?
The InChIKey is DPFOEZZUQQUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-11(4-2,8-18)7-12-9-5-6-10-13-15-16-17(10)14-9/h5-6,18H,3-4,7-8H2,1-2H3,(H,12,14).
What are the key properties of 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol?
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol has a molecular weight of 250.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 113334685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).