5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one

C7H10N6O — CID 59149417

IUPAC5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one
SMILESCC(C)N1N=NC2C(=O)N=C(N)N=C21
InChIInChI=1S/C7H10N6O/c1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h3-4H,1-2H3,(H2,8,10,14)
InChIKeyJPOCVODQIUMQGC-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.30
Rot. Bonds1

About 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one

5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one (PubChem CID 59149417) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one
PubChem CID59149417
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one
SMILESCC(C)N1N=NC2C(=O)N=C(N)N=C21
InChIInChI=1S/C7H10N6O/c1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h3-4H,1-2H3,(H2,8,10,14)
InChIKeyJPOCVODQIUMQGC-UHFFFAOYSA-N
XLogP-0.30
TPSA95.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one (CID 59149417) is 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one is CC(C)N1N=NC2C(=O)N=C(N)N=C21.
What is the InChIKey of 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is JPOCVODQIUMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-3(2)13-5-4(11-12-13)6(14)10-7(8)9-5/h3-4H,1-2H3,(H2,8,10,14).
What are the key properties of 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one?
5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 194.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propan-2-yl-7aH-triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 59149417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).