N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine

C13H21N7 — CID 42930313

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC1CCCCN1CCCNc1ccc2nnnn2n1
InChIInChI=1S/C13H21N7/c1-11-5-2-3-9-19(11)10-4-8-14-12-6-7-13-15-17-18-20(13)16-12/h6-7,11H,2-5,8-10H2,1H3,(H,14,16)
InChIKeySEEQCYRCWVZUAE-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.20
Rot. Bonds5

About N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 42930313) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID42930313
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC1CCCCN1CCCNc1ccc2nnnn2n1
InChIInChI=1S/C13H21N7/c1-11-5-2-3-9-19(11)10-4-8-14-12-6-7-13-15-17-18-20(13)16-12/h6-7,11H,2-5,8-10H2,1H3,(H,14,16)
InChIKeySEEQCYRCWVZUAE-UHFFFAOYSA-N
XLogP1.20
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.20
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-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 42930313) is N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine is CC1CCCCN1CCCNc1ccc2nnnn2n1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is SEEQCYRCWVZUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-11-5-2-3-9-19(11)10-4-8-14-12-6-7-13-15-17-18-20(13)16-12/h6-7,11H,2-5,8-10H2,1H3,(H,14,16).
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 42930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).