7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C7H9N5O — CID 66281523

IUPAC7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C7H9N5O/c1-2-8-5-3-6-10-11-7(13)12(6)4-9-5/h3-4,8H,2H2,1H3,(H,11,13)
InChIKeyYBMZGKPVNFXUPF-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.15
Rot. Bonds2

About 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281523) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281523
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C7H9N5O/c1-2-8-5-3-6-10-11-7(13)12(6)4-9-5/h3-4,8H,2H2,1H3,(H,11,13)
InChIKeyYBMZGKPVNFXUPF-UHFFFAOYSA-N
XLogP-0.15
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281523) is 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCNc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is YBMZGKPVNFXUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-8-5-3-6-10-11-7(13)12(6)4-9-5/h3-4,8H,2H2,1H3,(H,11,13).
What are the key properties of 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 179.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).