4,5,6-triamino-2-methylpyridazin-3-one

C5H9N5O — CID 14709725

IUPAC4,5,6-triamino-2-methylpyridazin-3-one
SMILESCn1nc(N)c(N)c(N)c1=O
InChIInChI=1S/C5H9N5O/c1-10-5(11)3(7)2(6)4(8)9-10/h6-7H2,1H3,(H2,8,9)
InChIKeyOZCUNFVCMWOEDG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.47
Rot. Bonds

About 4,5,6-triamino-2-methylpyridazin-3-one

4,5,6-triamino-2-methylpyridazin-3-one (PubChem CID 14709725) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 4,5,6-triamino-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4,5,6-triamino-2-methylpyridazin-3-one
PubChem CID14709725
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name4,5,6-triamino-2-methylpyridazin-3-one
SMILESCn1nc(N)c(N)c(N)c1=O
InChIInChI=1S/C5H9N5O/c1-10-5(11)3(7)2(6)4(8)9-10/h6-7H2,1H3,(H2,8,9)
InChIKeyOZCUNFVCMWOEDG-UHFFFAOYSA-N
XLogP-1.47
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-triamino-2-methylpyridazin-3-one?
The IUPAC name of 4,5,6-triamino-2-methylpyridazin-3-one (CID 14709725) is 4,5,6-triamino-2-methylpyridazin-3-one.
What is the SMILES notation for 4,5,6-triamino-2-methylpyridazin-3-one?
The canonical SMILES for 4,5,6-triamino-2-methylpyridazin-3-one is Cn1nc(N)c(N)c(N)c1=O.
What is the InChIKey of 4,5,6-triamino-2-methylpyridazin-3-one?
The InChIKey is OZCUNFVCMWOEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10-5(11)3(7)2(6)4(8)9-10/h6-7H2,1H3,(H2,8,9).
What are the key properties of 4,5,6-triamino-2-methylpyridazin-3-one?
4,5,6-triamino-2-methylpyridazin-3-one has a molecular weight of 155.16 g/mol, XLogP of -1.47, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-triamino-2-methylpyridazin-3-one is sourced from PubChem (CID 14709725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).