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

C10H12N4O — CID 53391753

IUPAC2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC3CC3)nc2n1
InChIInChI=1S/C10H12N4O/c1-6-4-9(15)14-10(11-6)12-8(13-14)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyHZLDZJGHOJMHBB-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds2

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

2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53391753) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53391753
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CC3CC3)nc2n1
InChIInChI=1S/C10H12N4O/c1-6-4-9(15)14-10(11-6)12-8(13-14)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyHZLDZJGHOJMHBB-UHFFFAOYSA-N
XLogP0.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53391753) is 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CC3CC3)nc2n1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HZLDZJGHOJMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-4-9(15)14-10(11-6)12-8(13-14)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 204.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53391753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).