2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H11N7O — CID 114455407

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cnn(C)c3N)nc2n1
InChIInChI=1S/C10H11N7O/c1-5-3-7(18)17-10(13-5)14-9(15-17)6-4-12-16(2)8(6)11/h3-4H,11H2,1-2H3,(H,13,14,15)
InChIKeyOQSDLCLBUHLOKC-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.29
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455407) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455407
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cnn(C)c3N)nc2n1
InChIInChI=1S/C10H11N7O/c1-5-3-7(18)17-10(13-5)14-9(15-17)6-4-12-16(2)8(6)11/h3-4H,11H2,1-2H3,(H,13,14,15)
InChIKeyOQSDLCLBUHLOKC-UHFFFAOYSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-2-methylphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455385
2-(2-amino-3-methylphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455369
2-(2-amino-4-chlorophenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455447
2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455440
5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 22433725
2-[1-(2-aminoethyl)triazol-4-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455501
CID 156868790
CID 156868790
2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 137003542
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-1-methylpyrazol-5-amine
CID 55061195
2-[1,2-dihydroxy-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14985283
2-(3-aminopropyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455266
2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455239

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455407) is 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3cnn(C)c3N)nc2n1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OQSDLCLBUHLOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-5-3-7(18)17-10(13-5)14-9(15-17)6-4-12-16(2)8(6)11/h3-4H,11H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 245.25 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).