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

C11H14N6 — CID 103844181

IUPACN-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESC1=C(CCNc2ccc3nnnn3n2)CCC1
InChIInChI=1S/C11H14N6/c1-2-4-9(3-1)7-8-12-10-5-6-11-13-15-16-17(11)14-10/h3,5-6H,1-2,4,7-8H2,(H,12,14)
InChIKeyFSJBSWUMZTYNJY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.43
Rot. Bonds4

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

N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 103844181) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID103844181
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESC1=C(CCNc2ccc3nnnn3n2)CCC1
InChIInChI=1S/C11H14N6/c1-2-4-9(3-1)7-8-12-10-5-6-11-13-15-16-17(11)14-10/h3,5-6H,1-2,4,7-8H2,(H,12,14)
InChIKeyFSJBSWUMZTYNJY-UHFFFAOYSA-N
XLogP1.43
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclobutan-1-ol
CID 115620433
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
CID 106177646
N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113257468
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 94032457
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133293005
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
N-[(1-methoxycyclobutyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113362466
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106177699

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 103844181) is N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is C1=C(CCNc2ccc3nnnn3n2)CCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FSJBSWUMZTYNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-2-4-9(3-1)7-8-12-10-5-6-11-13-15-16-17(11)14-10/h3,5-6H,1-2,4,7-8H2,(H,12,14).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 230.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 103844181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).