(2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol

C10H14ClN3O4 — CID 167408575

IUPAC(2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ccc(Cl)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14ClN3O4/c11-7-1-2-8(14-13-7)12-5-4-18-6(3-15)10(17)9(5)16/h1-2,5-6,9-10,15-17H,3-4H2,(H,12,14)/t5-,6+,9+,10-/m0/s1
InChIKeyPPTMPPACBPRHSV-ZRVLKLQWSA-N
MW275.69 g/mol
LogP-0.98
Rot. Bonds3

About (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 167408575) has the molecular formula C10H14ClN3O4 and a molecular weight of 275.69 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID167408575
Molecular FormulaC10H14ClN3O4
Molecular Weight275.69 g/mol
Exact Mass275.07
IUPAC Name(2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1OC[C@H](Nc2ccc(Cl)nn2)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14ClN3O4/c11-7-1-2-8(14-13-7)12-5-4-18-6(3-15)10(17)9(5)16/h1-2,5-6,9-10,15-17H,3-4H2,(H,12,14)/t5-,6+,9+,10-/m0/s1
InChIKeyPPTMPPACBPRHSV-ZRVLKLQWSA-N
XLogP-0.98
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 167408575) is (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1OC[C@H](Nc2ccc(Cl)nn2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is PPTMPPACBPRHSV-ZRVLKLQWSA-N. The full InChI is InChI=1S/C10H14ClN3O4/c11-7-1-2-8(14-13-7)12-5-4-18-6(3-15)10(17)9(5)16/h1-2,5-6,9-10,15-17H,3-4H2,(H,12,14)/t5-,6+,9+,10-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 275.69 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[(6-chloropyridazin-3-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 167408575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).