6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

C9H11N5O — CID 83882389

IUPAC6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESNCc1cnc2[nH]nc(C3CC3)n2c1=O
InChIInChI=1S/C9H11N5O/c10-3-6-4-11-9-13-12-7(5-1-2-5)14(9)8(6)15/h4-5H,1-3,10H2,(H,11,13)
InChIKeyBMKYSGMNWZIFMB-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.25
Rot. Bonds2

About 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 83882389) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID83882389
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESNCc1cnc2[nH]nc(C3CC3)n2c1=O
InChIInChI=1S/C9H11N5O/c10-3-6-4-11-9-13-12-7(5-1-2-5)14(9)8(6)15/h4-5H,1-3,10H2,(H,11,13)
InChIKeyBMKYSGMNWZIFMB-UHFFFAOYSA-N
XLogP-0.25
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 83882389) is 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is NCc1cnc2[nH]nc(C3CC3)n2c1=O.
What is the InChIKey of 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is BMKYSGMNWZIFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-3-6-4-11-9-13-12-7(5-1-2-5)14(9)8(6)15/h4-5H,1-3,10H2,(H,11,13).
What are the key properties of 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 205.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-cyclopropyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 83882389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).