1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine

C20H29Cl2N5 — CID 90269103

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine
SMILESCCCN(CCCN1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C20H29Cl2N5/c1-2-9-26(13-6-12-25-10-4-3-5-11-25)20-16-27(24-23-20)15-17-7-8-18(21)19(22)14-17/h7-8,14,16H,2-6,9-13,15H2,1H3
InChIKeyGAJAICYRYATDGX-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.73
Rot. Bonds9

About 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine

1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine (PubChem CID 90269103) has the molecular formula C20H29Cl2N5 and a molecular weight of 410.39 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine
PubChem CID90269103
Molecular FormulaC20H29Cl2N5
Molecular Weight410.39 g/mol
Exact Mass409.18
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine
SMILESCCCN(CCCN1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C20H29Cl2N5/c1-2-9-26(13-6-12-25-10-4-3-5-11-25)20-16-27(24-23-20)15-17-7-8-18(21)19(22)14-17/h7-8,14,16H,2-6,9-13,15H2,1H3
InChIKeyGAJAICYRYATDGX-UHFFFAOYSA-N
XLogP4.73
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine (CID 90269103) is 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine is CCCN(CCCN1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine?
The InChIKey is GAJAICYRYATDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N5/c1-2-9-26(13-6-12-25-10-4-3-5-11-25)20-16-27(24-23-20)15-17-7-8-18(21)19(22)14-17/h7-8,14,16H,2-6,9-13,15H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine?
1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine has a molecular weight of 410.39 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(3-piperidin-1-ylpropyl)-N-propyltriazol-4-amine is sourced from PubChem (CID 90269103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).