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

C16H16FN5O — CID 56778782

IUPAC(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone
SMILESCCc1nnc2n1CCN(C(=O)c1cc3cc(F)ccc3[nH]1)C2
InChIInChI=1S/C16H16FN5O/c1-2-14-19-20-15-9-21(5-6-22(14)15)16(23)13-8-10-7-11(17)3-4-12(10)18-13/h3-4,7-8,18H,2,5-6,9H2,1H3
InChIKeyQHTJUXRXIXMKTL-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.12
Rot. Bonds2

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

(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 56778782) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID56778782
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone
SMILESCCc1nnc2n1CCN(C(=O)c1cc3cc(F)ccc3[nH]1)C2
InChIInChI=1S/C16H16FN5O/c1-2-14-19-20-15-9-21(5-6-22(14)15)16(23)13-8-10-7-11(17)3-4-12(10)18-13/h3-4,7-8,18H,2,5-6,9H2,1H3
InChIKeyQHTJUXRXIXMKTL-UHFFFAOYSA-N
XLogP2.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone (CID 56778782) is (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone is CCc1nnc2n1CCN(C(=O)c1cc3cc(F)ccc3[nH]1)C2.
What is the InChIKey of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is QHTJUXRXIXMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-2-14-19-20-15-9-21(5-6-22(14)15)16(23)13-8-10-7-11(17)3-4-12(10)18-13/h3-4,7-8,18H,2,5-6,9H2,1H3.
What are the key properties of (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone?
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 313.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 56778782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).