4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

C19H26N8 — CID 97210192

IUPAC4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)nc(C)n1
InChIInChI=1S/C19H26N8/c1-4-16-11-17(22-14(2)21-16)26-9-5-7-15(12-26)19-24-23-18(25(19)3)13-27-10-6-8-20-27/h6,8,10-11,15H,4-5,7,9,12-13H2,1-3H3/t15-/m0/s1
InChIKeyYORIVDJAJXFFJK-HNNXBMFYSA-N
MW366.47 g/mol
LogP2.10
Rot. Bonds5

About 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine

4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 97210192) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
PubChem CID97210192
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)nc(C)n1
InChIInChI=1S/C19H26N8/c1-4-16-11-17(22-14(2)21-16)26-9-5-7-15(12-26)19-24-23-18(25(19)3)13-27-10-6-8-20-27/h6,8,10-11,15H,4-5,7,9,12-13H2,1-3H3/t15-/m0/s1
InChIKeyYORIVDJAJXFFJK-HNNXBMFYSA-N
XLogP2.10
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 72844723
2-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97195480
3-ethyl-5-[[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 97206414
4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70724784
4-methyl-5-[[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]thiadiazole
CID 97207806
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72913339
[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
CID 72883657
(2-hydroxyphenyl)-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97208763
5-ethyl-4-[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 72910470
(2,5-dimethylfuran-3-yl)-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72927455
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 97211159
2-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 72841662

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (CID 97210192) is 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is CCc1cc(N2CCC[C@H](c3nnc(Cn4cccn4)n3C)C2)nc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
The InChIKey is YORIVDJAJXFFJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N8/c1-4-16-11-17(22-14(2)21-16)26-9-5-7-15(12-26)19-24-23-18(25(19)3)13-27-10-6-8-20-27/h6,8,10-11,15H,4-5,7,9,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine?
4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 366.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 97210192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).