(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide

C17H25N7O — CID 95332454

IUPAC(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H25N7O/c1-13(17(25)19-14-4-2-3-5-14)22-8-10-23(11-9-22)16-7-6-15-20-18-12-24(15)21-16/h6-7,12-14H,2-5,8-11H2,1H3,(H,19,25)/t13-/m1/s1
InChIKeyAGLJKNUNUMCCRZ-CYBMUJFWSA-N
MW343.44 g/mol
LogP0.69
Rot. Bonds4

About (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide

(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide (PubChem CID 95332454) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
PubChem CID95332454
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H25N7O/c1-13(17(25)19-14-4-2-3-5-14)22-8-10-23(11-9-22)16-7-6-15-20-18-12-24(15)21-16/h6-7,12-14H,2-5,8-11H2,1H3,(H,19,25)/t13-/m1/s1
InChIKeyAGLJKNUNUMCCRZ-CYBMUJFWSA-N
XLogP0.69
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
CID 133287682
N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 133281334
(2R)-3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]butanoic acid
CID 119369237
N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide
CID 133287688
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35444619
6-[4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95348946
N-(4-phenylbutan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 42652793
piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 119879754
N-(6-methylheptan-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 46577267

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide (CID 95332454) is (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide is C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
The InChIKey is AGLJKNUNUMCCRZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N7O/c1-13(17(25)19-14-4-2-3-5-14)22-8-10-23(11-9-22)16-7-6-15-20-18-12-24(15)21-16/h6-7,12-14H,2-5,8-11H2,1H3,(H,19,25)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide?
(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide has a molecular weight of 343.44 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 95332454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).