(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C15H18N6O — CID 95767169

IUPAC(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(C2CC2)n1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C15H18N6O/c22-15(13-5-6-17-14(19-13)11-3-4-11)20-7-1-2-12(8-20)21-10-16-9-18-21/h5-6,9-12H,1-4,7-8H2/t12-/m1/s1
InChIKeyBLGVPJTVCQDXBH-GFCCVEGCSA-N
MW298.35 g/mol
LogP1.42
Rot. Bonds3

About (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95767169) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID95767169
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(C2CC2)n1)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C15H18N6O/c22-15(13-5-6-17-14(19-13)11-3-4-11)20-7-1-2-12(8-20)21-10-16-9-18-21/h5-6,9-12H,1-4,7-8H2/t12-/m1/s1
InChIKeyBLGVPJTVCQDXBH-GFCCVEGCSA-N
XLogP1.42
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 125118280
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736385
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 95736616
(1-phenylcyclopropyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761368
(2-methyl-5-methylsulfonylphenyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761382
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527
(3-methyl-4-nitrophenyl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 56826326
(2-cyclopentyloxyphenyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95764975
N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86893779
(2S)-1-(2-cyclopropylpyrimidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 125149419
4-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673516

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 95767169) is (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is O=C(c1ccnc(C2CC2)n1)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is BLGVPJTVCQDXBH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N6O/c22-15(13-5-6-17-14(19-13)11-3-4-11)20-7-1-2-12(8-20)21-10-16-9-18-21/h5-6,9-12H,1-4,7-8H2/t12-/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 298.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95767169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).