[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid

C10H14N4O2 — CID 129161486

IUPAC[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESCc1ccc(N2CC[C@@H](NC(=O)O)C2)nn1
InChIInChI=1S/C10H14N4O2/c1-7-2-3-9(13-12-7)14-5-4-8(6-14)11-10(15)16/h2-3,8,11H,4-6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyLQFMMUBKKFRGOQ-MRVPVSSYSA-N
MW222.25 g/mol
LogP0.63
Rot. Bonds2

About [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 129161486) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID129161486
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESCc1ccc(N2CC[C@@H](NC(=O)O)C2)nn1
InChIInChI=1S/C10H14N4O2/c1-7-2-3-9(13-12-7)14-5-4-8(6-14)11-10(15)16/h2-3,8,11H,4-6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyLQFMMUBKKFRGOQ-MRVPVSSYSA-N
XLogP0.63
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 136521831
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
(3aS,6aR)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122002808
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
CID 122139210
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
(2S,3aS,7aS)-N-cyclopropyl-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97415842
tert-butyl N-[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamate
CID 129161455
(2S,3aS,7aR)-N-(1-methylpiperidin-4-yl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364906
(3S,4S)-4-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 72858383

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid (CID 129161486) is [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid is Cc1ccc(N2CC[C@@H](NC(=O)O)C2)nn1.
What is the InChIKey of [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is LQFMMUBKKFRGOQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-2-3-9(13-12-7)14-5-4-8(6-14)11-10(15)16/h2-3,8,11H,4-6H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 222.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 129161486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).