(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol

C9H15ClN4O — CID 167168902

IUPAC(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@H](O)c1cc(Cl)c(N)nn1
InChIInChI=1S/C9H15ClN4O/c1-5(2)12-4-8(15)7-3-6(10)9(11)14-13-7/h3,5,8,12,15H,4H2,1-2H3,(H2,11,14)/t8-/m0/s1
InChIKeyQASGNAGYDNFGAD-QMMMGPOBSA-N
MW230.70 g/mol
LogP0.74
Rot. Bonds4

About (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol

(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 167168902) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol
PubChem CID167168902
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC[C@H](O)c1cc(Cl)c(N)nn1
InChIInChI=1S/C9H15ClN4O/c1-5(2)12-4-8(15)7-3-6(10)9(11)14-13-7/h3,5,8,12,15H,4H2,1-2H3,(H2,11,14)/t8-/m0/s1
InChIKeyQASGNAGYDNFGAD-QMMMGPOBSA-N
XLogP0.74
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol (CID 167168902) is (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol is CC(C)NC[C@H](O)c1cc(Cl)c(N)nn1.
What is the InChIKey of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is QASGNAGYDNFGAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-5(2)12-4-8(15)7-3-6(10)9(11)14-13-7/h3,5,8,12,15H,4H2,1-2H3,(H2,11,14)/t8-/m0/s1.
What are the key properties of (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol?
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 230.70 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 167168902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).