2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine

C15H21N5 — CID 131939868

IUPAC2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine
SMILESCc1nc(CN2CCN(c3ccccc3)CC2C)n[nH]1
InChIInChI=1S/C15H21N5/c1-12-10-20(14-6-4-3-5-7-14)9-8-19(12)11-15-16-13(2)17-18-15/h3-7,12H,8-11H2,1-2H3,(H,16,17,18)
InChIKeyQQDZWSUNVLRVPF-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.82
Rot. Bonds3

About 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine

2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine (PubChem CID 131939868) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine
PubChem CID131939868
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine
SMILESCc1nc(CN2CCN(c3ccccc3)CC2C)n[nH]1
InChIInChI=1S/C15H21N5/c1-12-10-20(14-6-4-3-5-7-14)9-8-19(12)11-15-16-13(2)17-18-15/h3-7,12H,8-11H2,1-2H3,(H,16,17,18)
InChIKeyQQDZWSUNVLRVPF-UHFFFAOYSA-N
XLogP1.82
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine (CID 131939868) is 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine is Cc1nc(CN2CCN(c3ccccc3)CC2C)n[nH]1.
What is the InChIKey of 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine?
The InChIKey is QQDZWSUNVLRVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-10-20(14-6-4-3-5-7-14)9-8-19(12)11-15-16-13(2)17-18-15/h3-7,12H,8-11H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine?
2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine has a molecular weight of 271.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 131939868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).