5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole

C11H19N5 — CID 158381986

IUPAC5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncn[nH]1
InChIInChI=1S/C6H10N2.C5H9N3/c1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5/h3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8)
InChIKeyGVXFZKHQIRFPDZ-UHFFFAOYSA-N
MW221.31 g/mol
LogP2.46
Rot. Bonds2

About 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole

5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158381986) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID158381986
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncn[nH]1
InChIInChI=1S/C6H10N2.C5H9N3/c1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5/h3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8)
InChIKeyGVXFZKHQIRFPDZ-UHFFFAOYSA-N
XLogP2.46
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158381986) is 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccn[nH]1.CC(C)c1ncn[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is GVXFZKHQIRFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H9N3/c1-5(2)6-3-4-7-8-6;1-4(2)5-6-3-7-8-5/h3-5H,1-2H3,(H,7,8);3-4H,1-2H3,(H,6,7,8).
What are the key properties of 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole?
5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 221.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158381986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).