1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one

C9H15N5O — CID 172548508

IUPAC1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCn2nc(N)nc2C1
InChIInChI=1S/C9H15N5O/c1-6(2)8(15)13-3-4-14-7(5-13)11-9(10)12-14/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyFKCLDNZWWUNQCT-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.14
Rot. Bonds1

About 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one

1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one (PubChem CID 172548508) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one
PubChem CID172548508
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCn2nc(N)nc2C1
InChIInChI=1S/C9H15N5O/c1-6(2)8(15)13-3-4-14-7(5-13)11-9(10)12-14/h6H,3-5H2,1-2H3,(H2,10,12)
InChIKeyFKCLDNZWWUNQCT-UHFFFAOYSA-N
XLogP-0.14
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one (CID 172548508) is 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCn2nc(N)nc2C1.
What is the InChIKey of 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one?
The InChIKey is FKCLDNZWWUNQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6(2)8(15)13-3-4-14-7(5-13)11-9(10)12-14/h6H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one?
1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one has a molecular weight of 209.25 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 172548508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).