N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C12H19N5O — CID 120508189

IUPACN-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESC[C@@H](CN)NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C12H19N5O/c1-9(8-13)14-12(18)10-4-5-11(16-15-10)17-6-2-3-7-17/h4-5,9H,2-3,6-8,13H2,1H3,(H,14,18)/t9-/m0/s1
InChIKeySXEQTXQOQKAXQH-VIFPVBQESA-N
MW249.32 g/mol
LogP0.15
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 120508189) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID120508189
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESC[C@@H](CN)NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C12H19N5O/c1-9(8-13)14-12(18)10-4-5-11(16-15-10)17-6-2-3-7-17/h4-5,9H,2-3,6-8,13H2,1H3,(H,14,18)/t9-/m0/s1
InChIKeySXEQTXQOQKAXQH-VIFPVBQESA-N
XLogP0.15
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
ethyl 4-[6-(butan-2-ylcarbamoyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109111593
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045089
N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120567521
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
N-[bis(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 138037708
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-pyrrolidin-1-yl-N-[(3S)-1,1,1-trifluorohex-5-yn-3-yl]pyridazine-3-carboxamide
CID 125420216

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 120508189) is N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is C[C@@H](CN)NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is SXEQTXQOQKAXQH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(8-13)14-12(18)10-4-5-11(16-15-10)17-6-2-3-7-17/h4-5,9H,2-3,6-8,13H2,1H3,(H,14,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 120508189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).