[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid

C10H14ClN5O2 — CID 166708160

IUPAC[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid
SMILESNc1nnc(Cl)cc1N1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H14ClN5O2/c11-8-5-7(9(12)15-14-8)16-3-1-6(2-4-16)13-10(17)18/h5-6,13H,1-4H2,(H2,12,15)(H,17,18)
InChIKeyARZIPMFPWKBADN-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.95
Rot. Bonds2

About [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid

[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid (PubChem CID 166708160) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid
PubChem CID166708160
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid
SMILESNc1nnc(Cl)cc1N1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H14ClN5O2/c11-8-5-7(9(12)15-14-8)16-3-1-6(2-4-16)13-10(17)18/h5-6,13H,1-4H2,(H2,12,15)(H,17,18)
InChIKeyARZIPMFPWKBADN-UHFFFAOYSA-N
XLogP0.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid (CID 166708160) is [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid is Nc1nnc(Cl)cc1N1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid?
The InChIKey is ARZIPMFPWKBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c11-8-5-7(9(12)15-14-8)16-3-1-6(2-4-16)13-10(17)18/h5-6,13H,1-4H2,(H2,12,15)(H,17,18).
What are the key properties of [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid?
[1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid has a molecular weight of 271.71 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-6-chloropyridazin-4-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 166708160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).