N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine

C12H17N7 — CID 26043550

IUPACN-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NC1CCN(C2CC2)CC1
InChIInChI=1S/C12H17N7/c1-2-10(1)18-7-5-9(6-8-18)13-11-3-4-12-14-16-17-19(12)15-11/h3-4,9-10H,1-2,5-8H2,(H,13,15)
InChIKeyIFOJESFQQVQZHM-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.56
Rot. Bonds3

About N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine

N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 26043550) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID26043550
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc2nnnn2nc1NC1CCN(C2CC2)CC1
InChIInChI=1S/C12H17N7/c1-2-10(1)18-7-5-9(6-8-18)13-11-3-4-12-14-16-17-19(12)15-11/h3-4,9-10H,1-2,5-8H2,(H,13,15)
InChIKeyIFOJESFQQVQZHM-UHFFFAOYSA-N
XLogP0.56
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine (CID 26043550) is N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine is c1cc2nnnn2nc1NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is IFOJESFQQVQZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-2-10(1)18-7-5-9(6-8-18)13-11-3-4-12-14-16-17-19(12)15-11/h3-4,9-10H,1-2,5-8H2,(H,13,15).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 259.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 26043550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).