(2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C14H23N5O2 — CID 119059534

IUPAC(2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(CCn3cncn3)CC2)CCCO1
InChIInChI=1S/C14H23N5O2/c1-14(3-2-10-21-14)13(20)18-7-4-17(5-8-18)6-9-19-12-15-11-16-19/h11-12H,2-10H2,1H3
InChIKeyJFALYIFRVTXLOK-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.01
Rot. Bonds4

About (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

(2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 119059534) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID119059534
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCN(CCn3cncn3)CC2)CCCO1
InChIInChI=1S/C14H23N5O2/c1-14(3-2-10-21-14)13(20)18-7-4-17(5-8-18)6-9-19-12-15-11-16-19/h11-12H,2-10H2,1H3
InChIKeyJFALYIFRVTXLOK-UHFFFAOYSA-N
XLogP-0.01
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 119059534) is (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is CC1(C(=O)N2CCN(CCn3cncn3)CC2)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is JFALYIFRVTXLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(3-2-10-21-14)13(20)18-7-4-17(5-8-18)6-9-19-12-15-11-16-19/h11-12H,2-10H2,1H3.
What are the key properties of (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
(2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119059534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).