7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

C15H19N5O3 — CID 136568031

IUPAC7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1ccoc1)C2
InChIInChI=1S/C15H19N5O3/c1-10-16-17-13-8-20(14(21)6-11-4-5-23-9-11)12(7-19(10)13)15(22)18(2)3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyPWFRQLVIYGPSPV-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.22
Rot. Bonds3

About 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide

7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (PubChem CID 136568031) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
PubChem CID136568031
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
SMILESCc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1ccoc1)C2
InChIInChI=1S/C15H19N5O3/c1-10-16-17-13-8-20(14(21)6-11-4-5-23-9-11)12(7-19(10)13)15(22)18(2)3/h4-5,9,12H,6-8H2,1-3H3
InChIKeyPWFRQLVIYGPSPV-UHFFFAOYSA-N
XLogP0.22
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The IUPAC name of 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide (CID 136568031) is 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide.
What is the SMILES notation for 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The canonical SMILES for 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is Cc1nnc2n1CC(C(=O)N(C)C)N(C(=O)Cc1ccoc1)C2.
What is the InChIKey of 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
The InChIKey is PWFRQLVIYGPSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-16-17-13-8-20(14(21)6-11-4-5-23-9-11)12(7-19(10)13)15(22)18(2)3/h4-5,9,12H,6-8H2,1-3H3.
What are the key properties of 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide?
7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(furan-3-yl)acetyl]-N,N,3-trimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide is sourced from PubChem (CID 136568031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).