N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

C19H25N9O — CID 71810935

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCCN(c3ccc(-n4cncn4)nn3)C2)n1
InChIInChI=1S/C19H25N9O/c1-14-10-15(2)27(25-14)9-7-21-19(29)16-4-3-8-26(11-16)17-5-6-18(24-23-17)28-13-20-12-22-28/h5-6,10,12-13,16H,3-4,7-9,11H2,1-2H3,(H,21,29)
InChIKeyHAPHEVOXRAYFIO-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.90
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 71810935) has the molecular formula C19H25N9O and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID71810935
Molecular FormulaC19H25N9O
Molecular Weight395.47 g/mol
Exact Mass395.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCCN(c3ccc(-n4cncn4)nn3)C2)n1
InChIInChI=1S/C19H25N9O/c1-14-10-15(2)27(25-14)9-7-21-19(29)16-4-3-8-26(11-16)17-5-6-18(24-23-17)28-13-20-12-22-28/h5-6,10,12-13,16H,3-4,7-9,11H2,1-2H3,(H,21,29)
InChIKeyHAPHEVOXRAYFIO-UHFFFAOYSA-N
XLogP0.90
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide (CID 71810935) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCCN(c3ccc(-n4cncn4)nn3)C2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is HAPHEVOXRAYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9O/c1-14-10-15(2)27(25-14)9-7-21-19(29)16-4-3-8-26(11-16)17-5-6-18(24-23-17)28-13-20-12-22-28/h5-6,10,12-13,16H,3-4,7-9,11H2,1-2H3,(H,21,29).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71810935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).