(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

C19H20N6O — CID 138017008

IUPAC(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(-c2ccccc2)n1)N1CCC(Cn2cncn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(17-6-9-21-18(23-17)16-4-2-1-3-5-16)24-10-7-15(8-11-24)12-25-14-20-13-22-25/h1-6,9,13-15H,7-8,10-12H2
InChIKeyJZFWBENWKJBPTN-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.29
Rot. Bonds4

About (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 138017008) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID138017008
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccnc(-c2ccccc2)n1)N1CCC(Cn2cncn2)CC1
InChIInChI=1S/C19H20N6O/c26-19(17-6-9-21-18(23-17)16-4-2-1-3-5-16)24-10-7-15(8-11-24)12-25-14-20-13-22-25/h1-6,9,13-15H,7-8,10-12H2
InChIKeyJZFWBENWKJBPTN-UHFFFAOYSA-N
XLogP2.29
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxylate
CID 75481460
(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
CID 170207899
(4-ethyl-2-hydroxyphenyl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 122139181
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 146090949
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(4-phenylphenyl)-[4-(1,2,4-triazol-4-ylmethyl)piperidin-1-yl]methanone
CID 136549797
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 167920387
[(2R,3aS,7aR)-1-methyl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 133140914
[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 99817438
6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922

Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 138017008) is (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccnc(-c2ccccc2)n1)N1CCC(Cn2cncn2)CC1.
What is the InChIKey of (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JZFWBENWKJBPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(17-6-9-21-18(23-17)16-4-2-1-3-5-16)24-10-7-15(8-11-24)12-25-14-20-13-22-25/h1-6,9,13-15H,7-8,10-12H2.
What are the key properties of (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138017008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).