N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C11H12N6S — CID 47371000

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccc(C(C)Nc2ccc3nnnn3n2)s1
InChIInChI=1S/C11H12N6S/c1-7-3-4-9(18-7)8(2)12-10-5-6-11-13-15-16-17(11)14-10/h3-6,8H,1-2H3,(H,12,14)
InChIKeyNHCUEXZXLIKOBE-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47371000) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47371000
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCc1ccc(C(C)Nc2ccc3nnnn3n2)s1
InChIInChI=1S/C11H12N6S/c1-7-3-4-9(18-7)8(2)12-10-5-6-11-13-15-16-17(11)14-10/h3-6,8H,1-2H3,(H,12,14)
InChIKeyNHCUEXZXLIKOBE-UHFFFAOYSA-N
XLogP2.06
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71932052
N-(1-cyclopropylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136349
1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine
CID 94497174
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133477552
N-(2-methylpentan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47393251
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[1-[4-(difluoromethoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 42949518
5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-2-amine
CID 61474270
N,N-dimethyl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112727895
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 166217980
6-N-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazine-2,6-diamine
CID 80800505

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 47371000) is N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is Cc1ccc(C(C)Nc2ccc3nnnn3n2)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is NHCUEXZXLIKOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-7-3-4-9(18-7)8(2)12-10-5-6-11-13-15-16-17(11)14-10/h3-6,8H,1-2H3,(H,12,14).
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 260.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47371000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).