(4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone

C14H19N7O2 — CID 90557446

IUPAC(4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCn1nnc2c(N3CC(C(=O)N4CCC(O)CC4)C3)ncnc21
InChIInChI=1S/C14H19N7O2/c1-19-12-11(17-18-19)13(16-8-15-12)21-6-9(7-21)14(23)20-4-2-10(22)3-5-20/h8-10,22H,2-7H2,1H3
InChIKeyBGMOPALYECFINF-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.82
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone (PubChem CID 90557446) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
PubChem CID90557446
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCn1nnc2c(N3CC(C(=O)N4CCC(O)CC4)C3)ncnc21
InChIInChI=1S/C14H19N7O2/c1-19-12-11(17-18-19)13(16-8-15-12)21-6-9(7-21)14(23)20-4-2-10(22)3-5-20/h8-10,22H,2-7H2,1H3
InChIKeyBGMOPALYECFINF-UHFFFAOYSA-N
XLogP-0.82
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carbonyl]piperazine-1-carboxylate
CID 71798122
[4-(2-chlorophenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557457
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557462
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557430
N-(cyclohexylmethyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557585
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163351886
N-(4-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557520
N-(3-acetamidophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557525
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
N-(3,4-difluorophenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557548
2,2-difluoro-N-[2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]propanamide
CID 126838726

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone (CID 90557446) is (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone is Cn1nnc2c(N3CC(C(=O)N4CCC(O)CC4)C3)ncnc21.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The InChIKey is BGMOPALYECFINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-19-12-11(17-18-19)13(16-8-15-12)21-6-9(7-21)14(23)20-4-2-10(22)3-5-20/h8-10,22H,2-7H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone has a molecular weight of 317.35 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 90557446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).