N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C9H13N5O — CID 35270726

IUPACN-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCCNc1ccc2nncn2n1
InChIInChI=1S/C9H13N5O/c1-15-6-2-5-10-8-3-4-9-12-11-7-14(9)13-8/h3-4,7H,2,5-6H2,1H3,(H,10,13)
InChIKeyPTUZSYBSGKITOJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.57
Rot. Bonds5

About N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 35270726) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID35270726
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOCCCNc1ccc2nncn2n1
InChIInChI=1S/C9H13N5O/c1-15-6-2-5-10-8-3-4-9-12-11-7-14(9)13-8/h3-4,7H,2,5-6H2,1H3,(H,10,13)
InChIKeyPTUZSYBSGKITOJ-UHFFFAOYSA-N
XLogP0.57
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
CID 125425135
N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20880735
N-benzyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20880739
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6620015
N'-(3,5-dichloro-2-pyridinyl)-N-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)ethane-1,2-diamine
CID 53498920
N-(3-methoxypropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372342
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 68647937
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
3-chloro-N-(3-methoxypropyl)-1,2,4-triazin-5-amine
CID 114999418
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 35270726) is N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COCCCNc1ccc2nncn2n1.
What is the InChIKey of N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is PTUZSYBSGKITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-15-6-2-5-10-8-3-4-9-12-11-7-14(9)13-8/h3-4,7H,2,5-6H2,1H3,(H,10,13).
What are the key properties of N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 207.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 35270726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).