7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C24H27N7 — CID 53045646

IUPAC7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN(c3cccc(C)c3)CC2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C24H27N7/c1-3-6-20-16-22(30-13-11-29(12-14-30)21-9-4-7-18(2)15-21)31-24(26-20)27-23(28-31)19-8-5-10-25-17-19/h4-5,7-10,15-17H,3,6,11-14H2,1-2H3
InChIKeyQUSSWDRBMOTIPN-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.77
Rot. Bonds5

About 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53045646) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53045646
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Name7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCc1cc(N2CCN(c3cccc(C)c3)CC2)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C24H27N7/c1-3-6-20-16-22(30-13-11-29(12-14-30)21-9-4-7-18(2)15-21)31-24(26-20)27-23(28-31)19-8-5-10-25-17-19/h4-5,7-10,15-17H,3,6,11-14H2,1-2H3
InChIKeyQUSSWDRBMOTIPN-UHFFFAOYSA-N
XLogP3.77
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53045646) is 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCc1cc(N2CCN(c3cccc(C)c3)CC2)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QUSSWDRBMOTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-3-6-20-16-22(30-13-11-29(12-14-30)21-9-4-7-18(2)15-21)31-24(26-20)27-23(28-31)19-8-5-10-25-17-19/h4-5,7-10,15-17H,3,6,11-14H2,1-2H3.
What are the key properties of 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 413.53 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-methylphenyl)piperazin-1-yl]-5-propyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53045646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).