1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol

C10H17N7O — CID 113320128

IUPAC1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccc2nnnn2n1
InChIInChI=1S/C10H17N7O/c1-10(18,7-16(2)3)6-11-8-4-5-9-12-14-15-17(9)13-8/h4-5,18H,6-7H2,1-3H3,(H,11,13)
InChIKeyANLITARHELHSLJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.76
Rot. Bonds5

About 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol

1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol (PubChem CID 113320128) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
PubChem CID113320128
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccc2nnnn2n1
InChIInChI=1S/C10H17N7O/c1-10(18,7-16(2)3)6-11-8-4-5-9-12-14-15-17(9)13-8/h4-5,18H,6-7H2,1-3H3,(H,11,13)
InChIKeyANLITARHELHSLJ-UHFFFAOYSA-N
XLogP-0.76
TPSA91.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685
N-(2-methyl-2-morpholin-4-ylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17449664
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
N-(2,2-dimethyl-5-phenylpentyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 133312537
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
N-(1-methoxy-2-methylpropan-2-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115606699
(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol (CID 113320128) is 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol is CN(C)CC(C)(O)CNc1ccc2nnnn2n1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol?
The InChIKey is ANLITARHELHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-10(18,7-16(2)3)6-11-8-4-5-9-12-14-15-17(9)13-8/h4-5,18H,6-7H2,1-3H3,(H,11,13).
What are the key properties of 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol?
1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol has a molecular weight of 251.29 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-2-ol is sourced from PubChem (CID 113320128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).