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

C16H18N6 — CID 1088125

IUPAC5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C16H18N6/c1-13-11-15(22-16(19-13)17-12-18-22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyQVNVDBRRTFCZOD-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.76
Rot. Bonds2

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

5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1088125) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1088125
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C16H18N6/c1-13-11-15(22-16(19-13)17-12-18-22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3
InChIKeyQVNVDBRRTFCZOD-UHFFFAOYSA-N
XLogP1.76
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

R121919
CID 9821250
(R)-Zinc-3573
CID 95882507
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N,N-Dimethyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-benzene-1,4-diamine
CID 741604
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
N-(2-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307386
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
2-(1,1-Difluoroethyl)-5-Methyl-N-[6-(Trifluoromethyl)pyridin-3-Yl][1,2,4]triazolo[1,5-A]pyrimidin-7-Amine
CID 122552662
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
5-Methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2295889

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1088125) is 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3ccccc3)CC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QVNVDBRRTFCZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-13-11-15(22-16(19-13)17-12-18-22)21-9-7-20(8-10-21)14-5-3-2-4-6-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 294.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1088125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).