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

C12H16N6O2 — CID 91784015

IUPAC6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide
SMILESCCCn1cnnc1C(C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H16N6O2/c1-3-4-18-7-15-17-11(18)8(2)16-12(20)9-5-14-10(19)6-13-9/h5-8H,3-4H2,1-2H3,(H,14,19)(H,16,20)
InChIKeyCMMRSJFFKKPXDJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.26
Rot. Bonds5

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

6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide (PubChem CID 91784015) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide
PubChem CID91784015
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide
SMILESCCCn1cnnc1C(C)NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H16N6O2/c1-3-4-18-7-15-17-11(18)8(2)16-12(20)9-5-14-10(19)6-13-9/h5-8H,3-4H2,1-2H3,(H,14,19)(H,16,20)
InChIKeyCMMRSJFFKKPXDJ-UHFFFAOYSA-N
XLogP0.26
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide (CID 91784015) is 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide is CCCn1cnnc1C(C)NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide?
The InChIKey is CMMRSJFFKKPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-4-18-7-15-17-11(18)8(2)16-12(20)9-5-14-10(19)6-13-9/h5-8H,3-4H2,1-2H3,(H,14,19)(H,16,20).
What are the key properties of 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide?
6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 91784015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).