7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C9H10N4O — CID 136773962

IUPAC7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C3CC3)n2n1
InChIInChI=1S/C9H10N4O/c1-5-10-9-11-8(14)4-7(6-2-3-6)13(9)12-5/h4,6H,2-3H2,1H3,(H,10,11,12,14)
InChIKeySCOGIZLZXXQHTI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.60
Rot. Bonds1

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

7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 136773962) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID136773962
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1nc2[nH]c(=O)cc(C3CC3)n2n1
InChIInChI=1S/C9H10N4O/c1-5-10-9-11-8(14)4-7(6-2-3-6)13(9)12-5/h4,6H,2-3H2,1H3,(H,10,11,12,14)
InChIKeySCOGIZLZXXQHTI-UHFFFAOYSA-N
XLogP0.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 136773962) is 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1nc2[nH]c(=O)cc(C3CC3)n2n1.
What is the InChIKey of 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is SCOGIZLZXXQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-10-9-11-8(14)4-7(6-2-3-6)13(9)12-5/h4,6H,2-3H2,1H3,(H,10,11,12,14).
What are the key properties of 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 190.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136773962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).