(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

C16H26N8 — CID 95600027

IUPAC(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCCCCn1nnnc1CN(C)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H26N8/c1-3-4-11-24-16(19-20-21-24)13-22(2)14-7-6-10-23(12-14)15-8-5-9-17-18-15/h5,8-9,14H,3-4,6-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyPWMFDEOLIYJVAA-CQSZACIVSA-N
MW330.44 g/mol
LogP1.36
Rot. Bonds7

About (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95600027) has the molecular formula C16H26N8 and a molecular weight of 330.44 g/mol. Its IUPAC name is (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95600027
Molecular FormulaC16H26N8
Molecular Weight330.44 g/mol
Exact Mass330.23
IUPAC Name(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
SMILESCCCCn1nnnc1CN(C)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H26N8/c1-3-4-11-24-16(19-20-21-24)13-22(2)14-7-6-10-23(12-14)15-8-5-9-17-18-15/h5,8-9,14H,3-4,6-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyPWMFDEOLIYJVAA-CQSZACIVSA-N
XLogP1.36
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine (CID 95600027) is (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is CCCCn1nnnc1CN(C)[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is PWMFDEOLIYJVAA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N8/c1-3-4-11-24-16(19-20-21-24)13-22(2)14-7-6-10-23(12-14)15-8-5-9-17-18-15/h5,8-9,14H,3-4,6-7,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-butyltetrazol-5-yl)methyl]-N-methyl-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95600027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).