(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

C18H19N7O — CID 126887074

IUPAC(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C18H19N7O/c26-18(16-12-21-25(23-16)15-4-2-1-3-5-15)24-10-7-14(8-11-24)22-17-6-9-19-13-20-17/h1-6,9,12-14H,7-8,10-11H2,(H,19,20,22)
InChIKeyPNUBORXBNPMHDD-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.77
Rot. Bonds4

About (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone

(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 126887074) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
PubChem CID126887074
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C18H19N7O/c26-18(16-12-21-25(23-16)15-4-2-1-3-5-15)24-10-7-14(8-11-24)22-17-6-9-19-13-20-17/h1-6,9,12-14H,7-8,10-11H2,(H,19,20,22)
InChIKeyPNUBORXBNPMHDD-UHFFFAOYSA-N
XLogP1.77
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 154576711
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 155799572
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51176610
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160

Frequently Asked Questions

What is the IUPAC name of (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone (CID 126887074) is (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is PNUBORXBNPMHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c26-18(16-12-21-25(23-16)15-4-2-1-3-5-15)24-10-7-14(8-11-24)22-17-6-9-19-13-20-17/h1-6,9,12-14H,7-8,10-11H2,(H,19,20,22).
What are the key properties of (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone?
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 349.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 126887074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).