N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C19H23N7 — CID 56778147

IUPACN-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(Cc1cn(-c2ccccc2)nn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H23N7/c1-24(13-16-14-26(23-21-16)17-7-3-2-4-8-17)18-9-6-12-25(15-18)19-10-5-11-20-22-19/h2-5,7-8,10-11,14,18H,6,9,12-13,15H2,1H3
InChIKeyTXOKAHRJDWLKPH-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 56778147) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID56778147
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(Cc1cn(-c2ccccc2)nn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H23N7/c1-24(13-16-14-26(23-21-16)17-7-3-2-4-8-17)18-9-6-12-25(15-18)19-10-5-11-20-22-19/h2-5,7-8,10-11,14,18H,6,9,12-13,15H2,1H3
InChIKeyTXOKAHRJDWLKPH-UHFFFAOYSA-N
XLogP2.16
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 56778147) is N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is CN(Cc1cn(-c2ccccc2)nn1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is TXOKAHRJDWLKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-24(13-16-14-26(23-21-16)17-7-3-2-4-8-17)18-9-6-12-25(15-18)19-10-5-11-20-22-19/h2-5,7-8,10-11,14,18H,6,9,12-13,15H2,1H3.
What are the key properties of N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 56778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).