1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine

C16H21N5 — CID 59216169

IUPAC1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
SMILESCn1c(N2CCNCC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N5/c1-20-14(16(7-8-16)13-5-3-2-4-6-13)18-19-15(20)21-11-9-17-10-12-21/h2-6,17H,7-12H2,1H3
InChIKeyJFMYAGLLRBSYPO-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.30
Rot. Bonds3

About 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine

1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine (PubChem CID 59216169) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
PubChem CID59216169
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
SMILESCn1c(N2CCNCC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N5/c1-20-14(16(7-8-16)13-5-3-2-4-6-13)18-19-15(20)21-11-9-17-10-12-21/h2-6,17H,7-12H2,1H3
InChIKeyJFMYAGLLRBSYPO-UHFFFAOYSA-N
XLogP1.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine (CID 59216169) is 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine is Cn1c(N2CCNCC2)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine?
The InChIKey is JFMYAGLLRBSYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20-14(16(7-8-16)13-5-3-2-4-6-13)18-19-15(20)21-11-9-17-10-12-21/h2-6,17H,7-12H2,1H3.
What are the key properties of 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine?
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine has a molecular weight of 283.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 59216169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).