7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H11N7O — CID 66283709

IUPAC7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nn(-c2cc3n[nH]c(=O)n3cn2)c(C)c1N
InChIInChI=1S/C10H11N7O/c1-5-9(11)6(2)17(15-5)7-3-8-13-14-10(18)16(8)4-12-7/h3-4H,11H2,1-2H3,(H,14,18)
InChIKeyBNMAOCILDBXRRM-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.20
Rot. Bonds1

About 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283709) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283709
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nn(-c2cc3n[nH]c(=O)n3cn2)c(C)c1N
InChIInChI=1S/C10H11N7O/c1-5-9(11)6(2)17(15-5)7-3-8-13-14-10(18)16(8)4-12-7/h3-4H,11H2,1-2H3,(H,14,18)
InChIKeyBNMAOCILDBXRRM-UHFFFAOYSA-N
XLogP-0.20
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284104
7-(4-aminopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283708
7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106673245
7-(2,2-dimethylpiperazin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283701
7-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283317
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
CID 66320104
7-(4-bromopyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283904
7-(4-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80674533
7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282689
7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 113282087
7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283718
7-(3-chloro-4-methylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 102960804

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283709) is 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nn(-c2cc3n[nH]c(=O)n3cn2)c(C)c1N.
What is the InChIKey of 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is BNMAOCILDBXRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-5-9(11)6(2)17(15-5)7-3-8-13-14-10(18)16(8)4-12-7/h3-4H,11H2,1-2H3,(H,14,18).
What are the key properties of 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 245.25 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-3,5-dimethylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).