1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine

C10H15N7 — CID 102792961

IUPAC1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCn1nccc1-c1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C10H15N7/c1-16-8(2-3-12-16)9-13-10(15-14-9)17-6-4-11-5-7-17/h2-3,11H,4-7H2,1H3,(H,13,14,15)
InChIKeyJQKKPZHSOIGXBU-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.39
Rot. Bonds2

About 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine

1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102792961) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102792961
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCn1nccc1-c1nc(N2CCNCC2)n[nH]1
InChIInChI=1S/C10H15N7/c1-16-8(2-3-12-16)9-13-10(15-14-9)17-6-4-11-5-7-17/h2-3,11H,4-7H2,1H3,(H,13,14,15)
InChIKeyJQKKPZHSOIGXBU-UHFFFAOYSA-N
XLogP-0.39
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102792961) is 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine is Cn1nccc1-c1nc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is JQKKPZHSOIGXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-16-8(2-3-12-16)9-13-10(15-14-9)17-6-4-11-5-7-17/h2-3,11H,4-7H2,1H3,(H,13,14,15).
What are the key properties of 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 233.28 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102792961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).