4-(1H-imidazol-2-yl)-2H-triazole

C5H5N5 — CID 135966856

IUPAC4-(1H-imidazol-2-yl)-2H-triazole
SMILESc1c[nH]c(-c2cn[nH]n2)n1
InChIInChI=1S/C5H5N5/c1-2-7-5(6-1)4-3-8-10-9-4/h1-3H,(H,6,7)(H,8,9,10)
InChIKeyYDTDQYXVTOSYAT-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.19
Rot. Bonds1

About 4-(1H-imidazol-2-yl)-2H-triazole

4-(1H-imidazol-2-yl)-2H-triazole (PubChem CID 135966856) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-2H-triazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-2H-triazole
PubChem CID135966856
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name4-(1H-imidazol-2-yl)-2H-triazole
SMILESc1c[nH]c(-c2cn[nH]n2)n1
InChIInChI=1S/C5H5N5/c1-2-7-5(6-1)4-3-8-10-9-4/h1-3H,(H,6,7)(H,8,9,10)
InChIKeyYDTDQYXVTOSYAT-UHFFFAOYSA-N
XLogP0.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
2-(1H-pyrazol-4-yl)-1H-imidazole-5-carbonitrile
CID 13663758
[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methanamine
CID 44339734
1-[2-(ethylthio)ethyl]-4-(1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 72903851
5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101
4-Amino-5-(imidazol-2-yl)imidazole
CID 126356
1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
2-(1H-pyrazol-4-yl)-1H-imidazole
CID 22037665
Imidazolylpyrazole
CID 136029224
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72898518
2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-imidazole
CID 13663751

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-2H-triazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-2H-triazole (CID 135966856) is 4-(1H-imidazol-2-yl)-2H-triazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-2H-triazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-2H-triazole is c1c[nH]c(-c2cn[nH]n2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-2H-triazole?
The InChIKey is YDTDQYXVTOSYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-2-7-5(6-1)4-3-8-10-9-4/h1-3H,(H,6,7)(H,8,9,10).
What are the key properties of 4-(1H-imidazol-2-yl)-2H-triazole?
4-(1H-imidazol-2-yl)-2H-triazole has a molecular weight of 135.13 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-2H-triazole is sourced from PubChem (CID 135966856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).