2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine

C15H21ClN6 — CID 46985168

IUPAC2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(C2CCN(c3ncccc3Cl)CC2)nn1
InChIInChI=1S/C15H21ClN6/c1-15(2,17)13-10-22(20-19-13)11-5-8-21(9-6-11)14-12(16)4-3-7-18-14/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3
InChIKeyFGWBNCHKQGSQNG-UHFFFAOYSA-N
MW320.83 g/mol
LogP2.36
Rot. Bonds3

About 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine

2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine (PubChem CID 46985168) has the molecular formula C15H21ClN6 and a molecular weight of 320.83 g/mol. Its IUPAC name is 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine
PubChem CID46985168
Molecular FormulaC15H21ClN6
Molecular Weight320.83 g/mol
Exact Mass320.15
IUPAC Name2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cn(C2CCN(c3ncccc3Cl)CC2)nn1
InChIInChI=1S/C15H21ClN6/c1-15(2,17)13-10-22(20-19-13)11-5-8-21(9-6-11)14-12(16)4-3-7-18-14/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3
InChIKeyFGWBNCHKQGSQNG-UHFFFAOYSA-N
XLogP2.36
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine (CID 46985168) is 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine is CC(C)(N)c1cn(C2CCN(c3ncccc3Cl)CC2)nn1.
What is the InChIKey of 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
The InChIKey is FGWBNCHKQGSQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6/c1-15(2,17)13-10-22(20-19-13)11-5-8-21(9-6-11)14-12(16)4-3-7-18-14/h3-4,7,10-11H,5-6,8-9,17H2,1-2H3.
What are the key properties of 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine?
2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine has a molecular weight of 320.83 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 46985168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).