N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide

C8H8N6O — CID 60981874

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cnccn1
InChIInChI=1S/C8H8N6O/c15-8(6-3-9-1-2-10-6)11-4-7-12-5-13-14-7/h1-3,5H,4H2,(H,11,15)(H,12,13,14)
InChIKeyRZVLAMPHWFMSRD-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.48
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide

N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide (PubChem CID 60981874) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
PubChem CID60981874
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cnccn1
InChIInChI=1S/C8H8N6O/c15-8(6-3-9-1-2-10-6)11-4-7-12-5-13-14-7/h1-3,5H,4H2,(H,11,15)(H,12,13,14)
InChIKeyRZVLAMPHWFMSRD-UHFFFAOYSA-N
XLogP-0.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 104642847
4-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64523791
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120438
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
3-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 60982075
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 55021438
N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 60977964
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 60983322
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide (CID 60981874) is N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ncn[nH]1)c1cnccn1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is RZVLAMPHWFMSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c15-8(6-3-9-1-2-10-6)11-4-7-12-5-13-14-7/h1-3,5H,4H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide?
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 204.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 60981874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).