[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

C13H16N6O2 — CID 138003446

IUPAC[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCn1nc(C2CCCN2C(=O)c2cncc(O)c2)nc1N
InChIInChI=1S/C13H16N6O2/c1-18-13(14)16-11(17-18)10-3-2-4-19(10)12(21)8-5-9(20)7-15-6-8/h5-7,10,20H,2-4H2,1H3,(H2,14,16,17)
InChIKeyPAXPTFHBSJZOFQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.48
Rot. Bonds2

About [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 138003446) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID138003446
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCn1nc(C2CCCN2C(=O)c2cncc(O)c2)nc1N
InChIInChI=1S/C13H16N6O2/c1-18-13(14)16-11(17-18)10-3-2-4-19(10)12(21)8-5-9(20)7-15-6-8/h5-7,10,20H,2-4H2,1H3,(H2,14,16,17)
InChIKeyPAXPTFHBSJZOFQ-UHFFFAOYSA-N
XLogP0.48
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
2-methyl-5-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]-1,2,4-triazol-3-amine
CID 136562665
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-5-hydroxypyridine-3-carboxamide
CID 75484361
5-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyridin-3-ol
CID 104605415
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 119052252
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370

Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 138003446) is [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is Cn1nc(C2CCCN2C(=O)c2cncc(O)c2)nc1N.
What is the InChIKey of [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is PAXPTFHBSJZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18-13(14)16-11(17-18)10-3-2-4-19(10)12(21)8-5-9(20)7-15-6-8/h5-7,10,20H,2-4H2,1H3,(H2,14,16,17).
What are the key properties of [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 288.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 138003446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).