N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C13H17N7S — CID 133415181

IUPACN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)(C)c1nc(CCNc2ccc3nnnn3n2)cs1
InChIInChI=1S/C13H17N7S/c1-13(2,3)12-15-9(8-21-12)6-7-14-10-4-5-11-16-18-19-20(11)17-10/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyWOSCITPCBOPJRS-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133415181) has the molecular formula C13H17N7S and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133415181
Molecular FormulaC13H17N7S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(C)(C)c1nc(CCNc2ccc3nnnn3n2)cs1
InChIInChI=1S/C13H17N7S/c1-13(2,3)12-15-9(8-21-12)6-7-14-10-4-5-11-16-18-19-20(11)17-10/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyWOSCITPCBOPJRS-UHFFFAOYSA-N
XLogP1.93
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-thiophen-2-ylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136338
N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17454098
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971913
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103844181
N-[(3-methylthiophen-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 34014390
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133293005

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 133415181) is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(C)(C)c1nc(CCNc2ccc3nnnn3n2)cs1.
What is the InChIKey of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is WOSCITPCBOPJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7S/c1-13(2,3)12-15-9(8-21-12)6-7-14-10-4-5-11-16-18-19-20(11)17-10/h4-5,8H,6-7H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 303.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133415181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).