N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

C5H5N7O — CID 549776

IUPACN-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nn1cnnc1)c1ncn[nH]1
InChIInChI=1S/C5H5N7O/c13-5(4-6-1-7-10-4)11-12-2-8-9-3-12/h1-3H,(H,11,13)(H,6,7,10)
InChIKeyYJAIYESQABTXGT-UHFFFAOYSA-N
MW179.14 g/mol
LogP-1.22
Rot. Bonds2

About N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide

N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 549776) has the molecular formula C5H5N7O and a molecular weight of 179.14 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID549776
Molecular FormulaC5H5N7O
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC NameN-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nn1cnnc1)c1ncn[nH]1
InChIInChI=1S/C5H5N7O/c13-5(4-6-1-7-10-4)11-12-2-8-9-3-12/h1-3H,(H,11,13)(H,6,7,10)
InChIKeyYJAIYESQABTXGT-UHFFFAOYSA-N
XLogP-1.22
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 549776) is N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nn1cnnc1)c1ncn[nH]1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YJAIYESQABTXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N7O/c13-5(4-6-1-7-10-4)11-12-2-8-9-3-12/h1-3H,(H,11,13)(H,6,7,10).
What are the key properties of N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 179.14 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 549776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).