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

C8H11N5O — CID 14547515

IUPAC2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N(C)C)nc2n1
InChIInChI=1S/C8H11N5O/c1-5-4-6(14)13-7(9-5)10-8(11-13)12(2)3/h4H,1-3H3,(H,9,10,11)
InChIKeyPZAHIMZZRCECED-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.21
Rot. Bonds1

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

2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 14547515) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID14547515
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N(C)C)nc2n1
InChIInChI=1S/C8H11N5O/c1-5-4-6(14)13-7(9-5)10-8(11-13)12(2)3/h4H,1-3H3,(H,9,10,11)
InChIKeyPZAHIMZZRCECED-UHFFFAOYSA-N
XLogP-0.21
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 14547515) is 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(N(C)C)nc2n1.
What is the InChIKey of 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PZAHIMZZRCECED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-4-6(14)13-7(9-5)10-8(11-13)12(2)3/h4H,1-3H3,(H,9,10,11).
What are the key properties of 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 193.21 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 14547515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).