4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one

C11H10N6O — CID 136980728

IUPAC4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
SMILESCn1nc(-c2nc(N)nc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C11H10N6O/c1-17-7-5-3-2-4-6(7)8(16-17)9-13-10(12)15-11(18)14-9/h2-5H,1H3,(H3,12,13,14,15,18)
InChIKeyUIYDIURLMZYTLE-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.30
Rot. Bonds1

About 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one

4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one (PubChem CID 136980728) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
PubChem CID136980728
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one
SMILESCn1nc(-c2nc(N)nc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C11H10N6O/c1-17-7-5-3-2-4-6(7)8(16-17)9-13-10(12)15-11(18)14-9/h2-5H,1H3,(H3,12,13,14,15,18)
InChIKeyUIYDIURLMZYTLE-UHFFFAOYSA-N
XLogP0.30
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one (CID 136980728) is 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one is Cn1nc(-c2nc(N)nc(=O)[nH]2)c2ccccc21.
What is the InChIKey of 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one?
The InChIKey is UIYDIURLMZYTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-17-7-5-3-2-4-6(7)8(16-17)9-13-10(12)15-11(18)14-9/h2-5H,1H3,(H3,12,13,14,15,18).
What are the key properties of 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one?
4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one has a molecular weight of 242.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1-methylindazol-3-yl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136980728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).