1H-pyrazole;1H-1,2,4-triazole;2H-triazole

C7H10N8 — CID 158009803

IUPAC1H-pyrazole;1H-1,2,4-triazole;2H-triazole
SMILESc1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1
InChIInChI=1S/C3H4N2.2C2H3N3/c1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-2H,(H,3,4,5)
InChIKeyFESYKMCHBBYWFJ-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.02
Rot. Bonds

About 1H-pyrazole;1H-1,2,4-triazole;2H-triazole

1H-pyrazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 158009803) has the molecular formula C7H10N8 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1H-pyrazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name1H-pyrazole;1H-1,2,4-triazole;2H-triazole
PubChem CID158009803
Molecular FormulaC7H10N8
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name1H-pyrazole;1H-1,2,4-triazole;2H-triazole
SMILESc1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1
InChIInChI=1S/C3H4N2.2C2H3N3/c1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-2H,(H,3,4,5)
InChIKeyFESYKMCHBBYWFJ-UHFFFAOYSA-N
XLogP0.02
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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ruthenium;1H-1,2,4-triazole
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1H-pyrazole;silane
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europium;1H-pyrazole
CID 160679867
triazine;1H-1,2,4-triazole
CID 67486558
lithium;hydride;1H-pyrazole
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1H-imidazole;1H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 1H-pyrazole;1H-1,2,4-triazole;2H-triazole (CID 158009803) is 1H-pyrazole;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 1H-pyrazole;1H-1,2,4-triazole;2H-triazole is c1cn[nH]c1.c1cn[nH]n1.c1nc[nH]n1.
What is the InChIKey of 1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
The InChIKey is FESYKMCHBBYWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.2C2H3N3/c1-2-4-5-3-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-3H,(H,4,5);2*1-2H,(H,3,4,5).
What are the key properties of 1H-pyrazole;1H-1,2,4-triazole;2H-triazole?
1H-pyrazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 206.21 g/mol, XLogP of 0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 158009803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).