1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole

C11H17N5 — CID 176773847

IUPAC1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
SMILESCC(C)c1nc(-c2ccn[nH]2)nn1C(C)C
InChIInChI=1S/C11H17N5/c1-7(2)11-13-10(9-5-6-12-14-9)15-16(11)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyYETHKXHVZVJQNC-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.37
Rot. Bonds3

About 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole

1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole (PubChem CID 176773847) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
PubChem CID176773847
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole
SMILESCC(C)c1nc(-c2ccn[nH]2)nn1C(C)C
InChIInChI=1S/C11H17N5/c1-7(2)11-13-10(9-5-6-12-14-9)15-16(11)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyYETHKXHVZVJQNC-UHFFFAOYSA-N
XLogP2.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
The IUPAC name of 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole (CID 176773847) is 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole is CC(C)c1nc(-c2ccn[nH]2)nn1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
The InChIKey is YETHKXHVZVJQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7(2)11-13-10(9-5-6-12-14-9)15-16(11)8(3)4/h5-8H,1-4H3,(H,12,14).
What are the key properties of 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole?
1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-3-(1H-pyrazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 176773847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).