4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol

C14H22N4O — CID 141093137

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3ccnnc3)CC2)C1
InChIInChI=1S/C14H22N4O/c15-12-4-8-18(10-12)13-1-5-14(19,6-2-13)11-3-7-16-17-9-11/h3,7,9,12-13,19H,1-2,4-6,8,10,15H2/t12-,13?,14?/m1/s1
InChIKeyZSVZHFCXWZSDAV-IYXRBSQSSA-N
MW262.36 g/mol
LogP0.64
Rot. Bonds2

About 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol

4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol (PubChem CID 141093137) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol
PubChem CID141093137
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol
SMILESN[C@@H]1CCN(C2CCC(O)(c3ccnnc3)CC2)C1
InChIInChI=1S/C14H22N4O/c15-12-4-8-18(10-12)13-1-5-14(19,6-2-13)11-3-7-16-17-9-11/h3,7,9,12-13,19H,1-2,4-6,8,10,15H2/t12-,13?,14?/m1/s1
InChIKeyZSVZHFCXWZSDAV-IYXRBSQSSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol (CID 141093137) is 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol is N[C@@H]1CCN(C2CCC(O)(c3ccnnc3)CC2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol?
The InChIKey is ZSVZHFCXWZSDAV-IYXRBSQSSA-N. The full InChI is InChI=1S/C14H22N4O/c15-12-4-8-18(10-12)13-1-5-14(19,6-2-13)11-3-7-16-17-9-11/h3,7,9,12-13,19H,1-2,4-6,8,10,15H2/t12-,13?,14?/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol?
4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridazin-4-ylcyclohexan-1-ol is sourced from PubChem (CID 141093137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).