1-(2-pyrazol-1-ylethyl)-1,2,4-triazole

C7H9N5 — CID 14195556

IUPAC1-(2-pyrazol-1-ylethyl)-1,2,4-triazole
SMILESc1cnn(CCn2cncn2)c1
InChIInChI=1S/C7H9N5/c1-2-9-11(3-1)4-5-12-7-8-6-10-12/h1-3,6-7H,4-5H2
InChIKeyGEXADLKTBDHOIX-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole

1-(2-pyrazol-1-ylethyl)-1,2,4-triazole (PubChem CID 14195556) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)-1,2,4-triazole
PubChem CID14195556
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-(2-pyrazol-1-ylethyl)-1,2,4-triazole
SMILESc1cnn(CCn2cncn2)c1
InChIInChI=1S/C7H9N5/c1-2-9-11(3-1)4-5-12-7-8-6-10-12/h1-3,6-7H,4-5H2
InChIKeyGEXADLKTBDHOIX-UHFFFAOYSA-N
XLogP0.17
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
Urea, 1-(2-chloroethyl)-1-(2-methyl-m-dithian-5-yl)-3-nitroso-, S,S,S',S'-tetraoxide, (Z)-
CID 3050615
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 71928254
2-(1H-Pyrazol-1-yl)pyrimidine
CID 11170771
5-(1H-pyrazol-1-yl)-2H-tetrazole
CID 16765278
4-(1H-Pyrazol-1-YL)-6-(pyrrolidin-1-YL)pyrimidine
CID 10680197
2,4-Bis(1-pyrazolyl)pyrimidine
CID 10680030
2-Pyrazol-1-yl-1,3,5-triazine
CID 57211484
2,4-Bis(pyrazol-1-yl)-1,3,5-triazine
CID 129823528
1-(2-Pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 53619640
1-(2-Pyrazol-1-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 56780654
5-Tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole
CID 71883675

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole (CID 14195556) is 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole is c1cnn(CCn2cncn2)c1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
The InChIKey is GEXADLKTBDHOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-9-11(3-1)4-5-12-7-8-6-10-12/h1-3,6-7H,4-5H2.
What are the key properties of 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole?
1-(2-pyrazol-1-ylethyl)-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)-1,2,4-triazole is sourced from PubChem (CID 14195556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).