3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol

C10H17N5O — CID 102792781

IUPAC3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol
SMILESOC1CC(c2nc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C10H17N5O/c16-8-5-7(6-8)9-12-10(14-13-9)15-3-1-11-2-4-15/h7-8,11,16H,1-6H2,(H,12,13,14)
InChIKeyXUUSRMPHOWQUBZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.55
Rot. Bonds2

About 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol

3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol (PubChem CID 102792781) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol
PubChem CID102792781
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol
SMILESOC1CC(c2nc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C10H17N5O/c16-8-5-7(6-8)9-12-10(14-13-9)15-3-1-11-2-4-15/h7-8,11,16H,1-6H2,(H,12,13,14)
InChIKeyXUUSRMPHOWQUBZ-UHFFFAOYSA-N
XLogP-0.55
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol?
The IUPAC name of 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol (CID 102792781) is 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol is OC1CC(c2nc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol?
The InChIKey is XUUSRMPHOWQUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c16-8-5-7(6-8)9-12-10(14-13-9)15-3-1-11-2-4-15/h7-8,11,16H,1-6H2,(H,12,13,14).
What are the key properties of 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol?
3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol has a molecular weight of 223.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-yl-1H-1,2,4-triazol-5-yl)cyclobutan-1-ol is sourced from PubChem (CID 102792781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).