5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile

C9H10N8O — CID 135964243

IUPAC5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile
SMILESCN(C)c1nc(-n2ncc(C#N)c2N)[nH]c(=O)n1
InChIInChI=1S/C9H10N8O/c1-16(2)7-13-8(15-9(18)14-7)17-6(11)5(3-10)4-12-17/h4H,11H2,1-2H3,(H,13,14,15,18)
InChIKeyIDAJGOXAOOSDEQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP-1.13
Rot. Bonds2

About 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile

5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile (PubChem CID 135964243) has the molecular formula C9H10N8O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile
PubChem CID135964243
Molecular FormulaC9H10N8O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile
SMILESCN(C)c1nc(-n2ncc(C#N)c2N)[nH]c(=O)n1
InChIInChI=1S/C9H10N8O/c1-16(2)7-13-8(15-9(18)14-7)17-6(11)5(3-10)4-12-17/h4H,11H2,1-2H3,(H,13,14,15,18)
InChIKeyIDAJGOXAOOSDEQ-UHFFFAOYSA-N
XLogP-1.13
TPSA129.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile (CID 135964243) is 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile is CN(C)c1nc(-n2ncc(C#N)c2N)[nH]c(=O)n1.
What is the InChIKey of 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile?
The InChIKey is IDAJGOXAOOSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8O/c1-16(2)7-13-8(15-9(18)14-7)17-6(11)5(3-10)4-12-17/h4H,11H2,1-2H3,(H,13,14,15,18).
What are the key properties of 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile?
5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile has a molecular weight of 246.23 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-(dimethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 135964243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).