1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine

C19H26ClN5 — CID 131893890

IUPAC1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2nc(C3CC3)nn2-c2cccc(Cl)c2C)CC1
InChIInChI=1S/C19H26ClN5/c1-3-23-9-11-24(12-10-23)13-18-21-19(15-7-8-15)22-25(18)17-6-4-5-16(20)14(17)2/h4-6,15H,3,7-13H2,1-2H3
InChIKeyNGVXGIGLVCDDPE-UHFFFAOYSA-N
MW359.91 g/mol
LogP3.24
Rot. Bonds5

About 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine

1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine (PubChem CID 131893890) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine
PubChem CID131893890
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2nc(C3CC3)nn2-c2cccc(Cl)c2C)CC1
InChIInChI=1S/C19H26ClN5/c1-3-23-9-11-24(12-10-23)13-18-21-19(15-7-8-15)22-25(18)17-6-4-5-16(20)14(17)2/h4-6,15H,3,7-13H2,1-2H3
InChIKeyNGVXGIGLVCDDPE-UHFFFAOYSA-N
XLogP3.24
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine (CID 131893890) is 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine is CCN1CCN(Cc2nc(C3CC3)nn2-c2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine?
The InChIKey is NGVXGIGLVCDDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-3-23-9-11-24(12-10-23)13-18-21-19(15-7-8-15)22-25(18)17-6-4-5-16(20)14(17)2/h4-6,15H,3,7-13H2,1-2H3.
What are the key properties of 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine?
1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine has a molecular weight of 359.91 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 131893890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).