3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide

C11H9N7O2 — CID 56783948

IUPAC3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1n[nH]c(-c2ccoc2)n1
InChIInChI=1S/C11H9N7O2/c12-8-7(13-2-3-14-8)10(19)16-11-15-9(17-18-11)6-1-4-20-5-6/h1-5H,(H2,12,14)(H2,15,16,17,18,19)
InChIKeyRWMLTACYYITIMJ-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.69
Rot. Bonds3

About 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide

3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide (PubChem CID 56783948) has the molecular formula C11H9N7O2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
PubChem CID56783948
Molecular FormulaC11H9N7O2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1n[nH]c(-c2ccoc2)n1
InChIInChI=1S/C11H9N7O2/c12-8-7(13-2-3-14-8)10(19)16-11-15-9(17-18-11)6-1-4-20-5-6/h1-5H,(H2,12,14)(H2,15,16,17,18,19)
InChIKeyRWMLTACYYITIMJ-UHFFFAOYSA-N
XLogP0.69
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide (CID 56783948) is 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1n[nH]c(-c2ccoc2)n1.
What is the InChIKey of 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is RWMLTACYYITIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2/c12-8-7(13-2-3-14-8)10(19)16-11-15-9(17-18-11)6-1-4-20-5-6/h1-5H,(H2,12,14)(H2,15,16,17,18,19).
What are the key properties of 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide?
3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 271.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 56783948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).