1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride

C20H26Cl2N8O — CID 119883333

IUPAC1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H24N8O.2ClH/c29-20(17-13-28(26-23-17)16-8-10-21-11-9-16)22-15-6-4-14(5-7-15)19-25-24-18-3-1-2-12-27(18)19;;/h4-7,13,16,21H,1-3,8-12H2,(H,22,29);2*1H
InChIKeySJAXBPDHMUESAR-UHFFFAOYSA-N
MW465.39 g/mol
LogP2.89
Rot. Bonds4

About 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride

1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride (PubChem CID 119883333) has the molecular formula C20H26Cl2N8O and a molecular weight of 465.39 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
PubChem CID119883333
Molecular FormulaC20H26Cl2N8O
Molecular Weight465.39 g/mol
Exact Mass464.16
IUPAC Name1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C20H24N8O.2ClH/c29-20(17-13-28(26-23-17)16-8-10-21-11-9-16)22-15-6-4-14(5-7-15)19-25-24-18-3-1-2-12-27(18)19;;/h4-7,13,16,21H,1-3,8-12H2,(H,22,29);2*1H
InChIKeySJAXBPDHMUESAR-UHFFFAOYSA-N
XLogP2.89
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride (CID 119883333) is 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
The InChIKey is SJAXBPDHMUESAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O.2ClH/c29-20(17-13-28(26-23-17)16-8-10-21-11-9-16)22-15-6-4-14(5-7-15)19-25-24-18-3-1-2-12-27(18)19;;/h4-7,13,16,21H,1-3,8-12H2,(H,22,29);2*1H.
What are the key properties of 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride?
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride has a molecular weight of 465.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119883333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).