3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide

C6H6N8O — CID 114387840

IUPAC3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2nccnn2)n1
InChIInChI=1S/C6H6N8O/c7-5-10-3(12-13-5)4(15)11-6-8-1-2-9-14-6/h1-2H,(H3,7,10,12,13)(H,8,11,14,15)
InChIKeyOEWZTWPQXMTLED-UHFFFAOYSA-N
MW206.17 g/mol
LogP-1.18
Rot. Bonds2

About 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 114387840) has the molecular formula C6H6N8O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID114387840
Molecular FormulaC6H6N8O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2nccnn2)n1
InChIInChI=1S/C6H6N8O/c7-5-10-3(12-13-5)4(15)11-6-8-1-2-9-14-6/h1-2H,(H3,7,10,12,13)(H,8,11,14,15)
InChIKeyOEWZTWPQXMTLED-UHFFFAOYSA-N
XLogP-1.18
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide (CID 114387840) is 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2nccnn2)n1.
What is the InChIKey of 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OEWZTWPQXMTLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N8O/c7-5-10-3(12-13-5)4(15)11-6-8-1-2-9-14-6/h1-2H,(H3,7,10,12,13)(H,8,11,14,15).
What are the key properties of 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 206.17 g/mol, XLogP of -1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2,4-triazin-3-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 114387840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).