2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one

C8H13N3O2 — CID 106548642

IUPAC2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)CN)c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-6-2-8(13)11(10-4-6)5-7(12)3-9/h2,4,7,12H,3,5,9H2,1H3
InChIKeyNKWWOCCBCCVOGA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.13
Rot. Bonds3

About 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one

2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one (PubChem CID 106548642) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one
PubChem CID106548642
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(O)CN)c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-6-2-8(13)11(10-4-6)5-7(12)3-9/h2,4,7,12H,3,5,9H2,1H3
InChIKeyNKWWOCCBCCVOGA-UHFFFAOYSA-N
XLogP-1.13
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one (CID 106548642) is 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one is Cc1cnn(CC(O)CN)c(=O)c1.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one?
The InChIKey is NKWWOCCBCCVOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-2-8(13)11(10-4-6)5-7(12)3-9/h2,4,7,12H,3,5,9H2,1H3.
What are the key properties of 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one?
2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one has a molecular weight of 183.21 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).