N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide

C11H14N6O2 — CID 91790472

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c(=O)cn1)c1ncnn1C
InChIInChI=1S/C11H14N6O2/c1-3-7(10-14-6-15-17(10)2)16-11(19)8-4-13-9(18)5-12-8/h4-7H,3H2,1-2H3,(H,13,18)(H,16,19)
InChIKeyUQUXHKHDOULTRV-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.22
Rot. Bonds4

About N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 91790472) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID91790472
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCCC(NC(=O)c1c[nH]c(=O)cn1)c1ncnn1C
InChIInChI=1S/C11H14N6O2/c1-3-7(10-14-6-15-17(10)2)16-11(19)8-4-13-9(18)5-12-8/h4-7H,3H2,1-2H3,(H,13,18)(H,16,19)
InChIKeyUQUXHKHDOULTRV-UHFFFAOYSA-N
XLogP-0.22
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 91790472) is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide is CCC(NC(=O)c1c[nH]c(=O)cn1)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is UQUXHKHDOULTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-3-7(10-14-6-15-17(10)2)16-11(19)8-4-13-9(18)5-12-8/h4-7H,3H2,1-2H3,(H,13,18)(H,16,19).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91790472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).