4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine

C18H20N6 — CID 51108750

IUPAC4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
SMILESCn1cnnc1C1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H20N6/c1-23-13-20-22-18(23)15-8-5-11-24(12-15)16-9-10-19-17(21-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3
InChIKeyCPKJRUCLZNQJNS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.66
Rot. Bonds3

About 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine

4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine (PubChem CID 51108750) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
PubChem CID51108750
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
SMILESCn1cnnc1C1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H20N6/c1-23-13-20-22-18(23)15-8-5-11-24(12-15)16-9-10-19-17(21-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3
InChIKeyCPKJRUCLZNQJNS-UHFFFAOYSA-N
XLogP2.66
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 125138768
N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 95348327
2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 124883360
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 122138214
2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-phenylpyrazine
CID 166201251
N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136568235
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
2-[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 124615473
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
(2-bromo-4-pyridinyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 103754456
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine?
The IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine (CID 51108750) is 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine.
What is the SMILES notation for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine?
The canonical SMILES for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine is Cn1cnnc1C1CCCN(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine?
The InChIKey is CPKJRUCLZNQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-23-13-20-22-18(23)15-8-5-11-24(12-15)16-9-10-19-17(21-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3.
What are the key properties of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine?
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine is sourced from PubChem (CID 51108750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).