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

C11H16N6O — CID 24590304

IUPACN-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NCCCOCC1CC1
InChIInChI=1S/C11H16N6O/c1(7-18-8-9-2-3-9)6-12-10-4-5-11-13-15-16-17(11)14-10/h4-5,9H,1-3,6-8H2,(H,12,14)
InChIKeyXKUBWDMXBSZNGL-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.75
Rot. Bonds7

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

N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 24590304) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID24590304
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NCCCOCC1CC1
InChIInChI=1S/C11H16N6O/c1(7-18-8-9-2-3-9)6-12-10-4-5-11-13-15-16-17(11)14-10/h4-5,9H,1-3,6-8H2,(H,12,14)
InChIKeyXKUBWDMXBSZNGL-UHFFFAOYSA-N
XLogP0.75
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 24590304) is N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine is c1cc2nnnn2nc1NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is XKUBWDMXBSZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1(7-18-8-9-2-3-9)6-12-10-4-5-11-13-15-16-17(11)14-10/h4-5,9H,1-3,6-8H2,(H,12,14).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 248.29 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 24590304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).