N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C14H23N7 — CID 94795523

IUPACN-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCCN1CCCC[C@@H]1CNc1ccc2nnnn2n1
InChIInChI=1S/C14H23N7/c1-2-3-9-20-10-5-4-6-12(20)11-15-13-7-8-14-16-18-19-21(14)17-13/h7-8,12H,2-6,9-11H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyUMXKYLZVGPDKAW-GFCCVEGCSA-N
MW289.39 g/mol
LogP1.59
Rot. Bonds6

About N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 94795523) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID94795523
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCCN1CCCC[C@@H]1CNc1ccc2nnnn2n1
InChIInChI=1S/C14H23N7/c1-2-3-9-20-10-5-4-6-12(20)11-15-13-7-8-14-16-18-19-21(14)17-13/h7-8,12H,2-6,9-11H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyUMXKYLZVGPDKAW-GFCCVEGCSA-N
XLogP1.59
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2R)-1-butylpiperidin-2-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 94795523) is N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is CCCCN1CCCC[C@@H]1CNc1ccc2nnnn2n1.
What is the InChIKey of N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is UMXKYLZVGPDKAW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N7/c1-2-3-9-20-10-5-4-6-12(20)11-15-13-7-8-14-16-18-19-21(14)17-13/h7-8,12H,2-6,9-11H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 289.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-butylpiperidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 94795523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).