(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone

C17H21N5O — CID 162635585

IUPAC(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCC1CN(C2CC2)CCN1C(=O)c1ccccc1-n1cncn1
InChIInChI=1S/C17H21N5O/c1-13-10-20(14-6-7-14)8-9-21(13)17(23)15-4-2-3-5-16(15)22-12-18-11-19-22/h2-5,11-14H,6-10H2,1H3
InChIKeyRVIRFXWZWGCOQU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.58
Rot. Bonds3

About (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone

(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 162635585) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID162635585
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCC1CN(C2CC2)CCN1C(=O)c1ccccc1-n1cncn1
InChIInChI=1S/C17H21N5O/c1-13-10-20(14-6-7-14)8-9-21(13)17(23)15-4-2-3-5-16(15)22-12-18-11-19-22/h2-5,11-14H,6-10H2,1H3
InChIKeyRVIRFXWZWGCOQU-UHFFFAOYSA-N
XLogP1.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone (CID 162635585) is (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone is CC1CN(C2CC2)CCN1C(=O)c1ccccc1-n1cncn1.
What is the InChIKey of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is RVIRFXWZWGCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-10-20(14-6-7-14)8-9-21(13)17(23)15-4-2-3-5-16(15)22-12-18-11-19-22/h2-5,11-14H,6-10H2,1H3.
What are the key properties of (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 162635585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).