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

C14H17N5 — CID 121184229

IUPAC7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(=C3CC3)CC2)n2ncnc2n1
InChIInChI=1S/C14H17N5/c1-10-8-13(19-14(17-10)15-9-16-19)18-6-4-12(5-7-18)11-2-3-11/h8-9H,2-7H2,1H3
InChIKeyWAUVXFZCGXYHRP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds1

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

7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 121184229) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID121184229
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(=C3CC3)CC2)n2ncnc2n1
InChIInChI=1S/C14H17N5/c1-10-8-13(19-14(17-10)15-9-16-19)18-6-4-12(5-7-18)11-2-3-11/h8-9H,2-7H2,1H3
InChIKeyWAUVXFZCGXYHRP-UHFFFAOYSA-N
XLogP2.12
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 6484700
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122269226
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 60916273
3-cyclopropyl-5-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133354316

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 121184229) is 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(=C3CC3)CC2)n2ncnc2n1.
What is the InChIKey of 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WAUVXFZCGXYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-10-8-13(19-14(17-10)15-9-16-19)18-6-4-12(5-7-18)11-2-3-11/h8-9H,2-7H2,1H3.
What are the key properties of 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121184229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).