N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine

C8H12N6OS — CID 115620446

IUPACN-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCS(=O)CCCNc1ccc2nnnn2n1
InChIInChI=1S/C8H12N6OS/c1-16(15)6-2-5-9-7-3-4-8-10-12-13-14(8)11-7/h3-4H,2,5-6H2,1H3,(H,9,11)
InChIKeyAYMFLNNDHIXRTD-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.30
Rot. Bonds5

About N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 115620446) has the molecular formula C8H12N6OS and a molecular weight of 240.29 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID115620446
Molecular FormulaC8H12N6OS
Molecular Weight240.29 g/mol
Exact Mass240.08
IUPAC NameN-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESCS(=O)CCCNc1ccc2nnnn2n1
InChIInChI=1S/C8H12N6OS/c1-16(15)6-2-5-9-7-3-4-8-10-12-13-14(8)11-7/h3-4H,2,5-6H2,1H3,(H,9,11)
InChIKeyAYMFLNNDHIXRTD-UHFFFAOYSA-N
XLogP-0.30
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 17470486
N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 24590303
N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 75432970
N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112684377
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
N-(2-thiophen-2-ylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136338
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 125432939

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 115620446) is N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine is CS(=O)CCCNc1ccc2nnnn2n1.
What is the InChIKey of N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is AYMFLNNDHIXRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6OS/c1-16(15)6-2-5-9-7-3-4-8-10-12-13-14(8)11-7/h3-4H,2,5-6H2,1H3,(H,9,11).
What are the key properties of N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 240.29 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 115620446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).