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

C9H9N7O — CID 66284104

IUPAC7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1cn(-c2cc3n[nH]c(=O)n3cn2)nc1N
InChIInChI=1S/C9H9N7O/c1-5-3-16(14-8(5)10)6-2-7-12-13-9(17)15(7)4-11-6/h2-4H,1H3,(H2,10,14)(H,13,17)
InChIKeyODHPYWUHPHQFTB-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.51
Rot. Bonds1

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

7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284104) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284104
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1cn(-c2cc3n[nH]c(=O)n3cn2)nc1N
InChIInChI=1S/C9H9N7O/c1-5-3-16(14-8(5)10)6-2-7-12-13-9(17)15(7)4-11-6/h2-4H,1H3,(H2,10,14)(H,13,17)
InChIKeyODHPYWUHPHQFTB-UHFFFAOYSA-N
XLogP-0.51
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-Methyl-4-(1-methyl-1H-pyrazol-3-yl)-2,4-dihydro[1,2,4]triazol-3-one
CID 57927205
4-Amino-2,7-dimethylpyrazolo[3,4-d]pyrimidin-6-one
CID 129933581
8-Methylpyrazolo[1,5-A][1,3,5]triazin-4(3H)-one
CID 135741979
4-(1,4-dimethylpyrazol-5-yl)-1H-tetrazol-5-one
CID 136047402
4-(1,4-dimethylpyrazol-3-yl)-1H-tetrazol-5-one
CID 136094472
2,8-dimethyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136205243
4-(dimethylamino)-1-methyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
CID 136593364
4-(dimethylamino)-1-ethyl-7H-pyrazolo[5,4-d]pyrimidin-6-one
CID 136593377
2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 137148926
ethane;8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 142363954
ethane;8-methyl-2-(methylamino)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 142463734
2-amino-8-methyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one;ethane
CID 142463883

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284104) is 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1cn(-c2cc3n[nH]c(=O)n3cn2)nc1N.
What is the InChIKey of 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ODHPYWUHPHQFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c1-5-3-16(14-8(5)10)6-2-7-12-13-9(17)15(7)4-11-6/h2-4H,1H3,(H2,10,14)(H,13,17).
What are the key properties of 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 231.22 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-methylpyrazol-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).