N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C19H30N6O — CID 29139783

IUPACN-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1
InChIInChI=1S/C19H30N6O/c1-13(2)7-10-20-19(26)15-8-11-24(12-9-15)17-6-5-16-21-22-18(14(3)4)25(16)23-17/h5-6,13-15H,7-12H2,1-4H3,(H,20,26)
InChIKeyDNZIQPZEPVLLRZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.63
Rot. Bonds6

About N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 29139783) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID29139783
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1
InChIInChI=1S/C19H30N6O/c1-13(2)7-10-20-19(26)15-8-11-24(12-9-15)17-6-5-16-21-22-18(14(3)4)25(16)23-17/h5-6,13-15H,7-12H2,1-4H3,(H,20,26)
InChIKeyDNZIQPZEPVLLRZ-UHFFFAOYSA-N
XLogP2.63
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 29139783) is N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(c2ccc3nnc(C(C)C)n3n2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is DNZIQPZEPVLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-13(2)7-10-20-19(26)15-8-11-24(12-9-15)17-6-5-16-21-22-18(14(3)4)25(16)23-17/h5-6,13-15H,7-12H2,1-4H3,(H,20,26).
What are the key properties of N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 29139783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).