(4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone

C13H15N5O — CID 118721879

IUPAC(4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)n1cncn1
InChIInChI=1S/C13H15N5O/c19-13(18-11-14-10-15-18)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyQJNXPTCCLVHSKB-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.07
Rot. Bonds1

About (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone

(4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 118721879) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID118721879
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)n1cncn1
InChIInChI=1S/C13H15N5O/c19-13(18-11-14-10-15-18)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyQJNXPTCCLVHSKB-UHFFFAOYSA-N
XLogP1.07
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 118721879) is (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)n1cncn1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is QJNXPTCCLVHSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(18-11-14-10-15-18)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
(4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 257.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 118721879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).