1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile

C18H18N6 — CID 155975549

IUPAC1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCc1cc(N2CCC(C#N)(c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C18H18N6/c1-14-11-16(24-17(22-14)20-13-21-24)23-9-7-18(12-19,8-10-23)15-5-3-2-4-6-15/h2-6,11,13H,7-10H2,1H3
InChIKeySUGUEUTWFPVSME-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.49
Rot. Bonds2

About 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 155975549) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID155975549
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCc1cc(N2CCC(C#N)(c3ccccc3)CC2)n2ncnc2n1
InChIInChI=1S/C18H18N6/c1-14-11-16(24-17(22-14)20-13-21-24)23-9-7-18(12-19,8-10-23)15-5-3-2-4-6-15/h2-6,11,13H,7-10H2,1H3
InChIKeySUGUEUTWFPVSME-UHFFFAOYSA-N
XLogP2.49
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-4-phenylpiperidine-4-carbonitrile
CID 134713638
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122269226
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 50978711
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956587
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
4-chloro-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 17468198
2-amino-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120596320
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 72893361

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile (CID 155975549) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile is Cc1cc(N2CCC(C#N)(c3ccccc3)CC2)n2ncnc2n1.
What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is SUGUEUTWFPVSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-14-11-16(24-17(22-14)20-13-21-24)23-9-7-18(12-19,8-10-23)15-5-3-2-4-6-15/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile?
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 155975549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).