5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C24H26N6 — CID 91956587

IUPAC5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C(c3ccccc3)c3ccccc3C)CC2)n2ncnc2n1
InChIInChI=1S/C24H26N6/c1-18-8-6-7-11-21(18)23(20-9-4-3-5-10-20)29-14-12-28(13-15-29)22-16-19(2)27-24-25-17-26-30(22)24/h3-11,16-17,23H,12-15H2,1-2H3
InChIKeyIBKGZNNTGRQKNE-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.65
Rot. Bonds4

About 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 91956587) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID91956587
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(C(c3ccccc3)c3ccccc3C)CC2)n2ncnc2n1
InChIInChI=1S/C24H26N6/c1-18-8-6-7-11-21(18)23(20-9-4-3-5-10-20)29-14-12-28(13-15-29)22-16-19(2)27-24-25-17-26-30(22)24/h3-11,16-17,23H,12-15H2,1-2H3
InChIKeyIBKGZNNTGRQKNE-UHFFFAOYSA-N
XLogP3.65
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 91956587) is 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3C)CC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is IBKGZNNTGRQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-18-8-6-7-11-21(18)23(20-9-4-3-5-10-20)29-14-12-28(13-15-29)22-16-19(2)27-24-25-17-26-30(22)24/h3-11,16-17,23H,12-15H2,1-2H3.
What are the key properties of 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 398.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91956587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).