1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile

C7H5N7 — CID 80647026

IUPAC1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(-c2cncc(N)n2)n1
InChIInChI=1S/C7H5N7/c8-1-6-11-4-14(13-6)7-3-10-2-5(9)12-7/h2-4H,(H2,9,12)
InChIKeyWUIOLPOMFYEDRG-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.49
Rot. Bonds1

About 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile

1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile (PubChem CID 80647026) has the molecular formula C7H5N7 and a molecular weight of 187.17 g/mol. Its IUPAC name is 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile
PubChem CID80647026
Molecular FormulaC7H5N7
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(-c2cncc(N)n2)n1
InChIInChI=1S/C7H5N7/c8-1-6-11-4-14(13-6)7-3-10-2-5(9)12-7/h2-4H,(H2,9,12)
InChIKeyWUIOLPOMFYEDRG-UHFFFAOYSA-N
XLogP-0.49
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile (CID 80647026) is 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(-c2cncc(N)n2)n1.
What is the InChIKey of 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile?
The InChIKey is WUIOLPOMFYEDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N7/c8-1-6-11-4-14(13-6)7-3-10-2-5(9)12-7/h2-4H,(H2,9,12).
What are the key properties of 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile?
1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 187.17 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyrazin-2-yl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 80647026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).