N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

C14H14N6O2S — CID 50954012

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(CSc3ncn[nH]3)o2)cn1
InChIInChI=1S/C14H14N6O2S/c1-9-4-16-10(5-15-9)6-17-13(21)12-3-2-11(22-12)7-23-14-18-8-19-20-14/h2-5,8H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyGNGWLZCYYFLQBW-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.72
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50954012) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50954012
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(CSc3ncn[nH]3)o2)cn1
InChIInChI=1S/C14H14N6O2S/c1-9-4-16-10(5-15-9)6-17-13(21)12-3-2-11(22-12)7-23-14-18-8-19-20-14/h2-5,8H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyGNGWLZCYYFLQBW-UHFFFAOYSA-N
XLogP1.72
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (CID 50954012) is N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is Cc1cnc(CNC(=O)c2ccc(CSc3ncn[nH]3)o2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is GNGWLZCYYFLQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-9-4-16-10(5-15-9)6-17-13(21)12-3-2-11(22-12)7-23-14-18-8-19-20-14/h2-5,8H,6-7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50954012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).