(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C11H15N7O — CID 64583738

IUPAC(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCn3cnnc3C2)c1N
InChIInChI=1S/C11H15N7O/c1-2-7-9(12)10(16-14-7)11(19)17-3-4-18-6-13-15-8(18)5-17/h6H,2-5,12H2,1H3,(H,14,16)
InChIKeyFXFZBUXAIHXEQB-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.20
Rot. Bonds2

About (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 64583738) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID64583738
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCCc1[nH]nc(C(=O)N2CCn3cnnc3C2)c1N
InChIInChI=1S/C11H15N7O/c1-2-7-9(12)10(16-14-7)11(19)17-3-4-18-6-13-15-8(18)5-17/h6H,2-5,12H2,1H3,(H,14,16)
InChIKeyFXFZBUXAIHXEQB-UHFFFAOYSA-N
XLogP-0.20
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 64583738) is (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CCc1[nH]nc(C(=O)N2CCn3cnnc3C2)c1N.
What is the InChIKey of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is FXFZBUXAIHXEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c1-2-7-9(12)10(16-14-7)11(19)17-3-4-18-6-13-15-8(18)5-17/h6H,2-5,12H2,1H3,(H,14,16).
What are the key properties of (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 261.29 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 64583738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).