6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone

C14H13N5O2 — CID 66482686

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
SMILESO=C(c1ccncc1C#CCO)N1CCn2cnnc2C1
InChIInChI=1S/C14H13N5O2/c20-7-1-2-11-8-15-4-3-12(11)14(21)18-5-6-19-10-16-17-13(19)9-18/h3-4,8,10,20H,5-7,9H2
InChIKeyWDQJCMADPLABGV-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.33
Rot. Bonds1

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone (PubChem CID 66482686) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
PubChem CID66482686
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
SMILESO=C(c1ccncc1C#CCO)N1CCn2cnnc2C1
InChIInChI=1S/C14H13N5O2/c20-7-1-2-11-8-15-4-3-12(11)14(21)18-5-6-19-10-16-17-13(19)9-18/h3-4,8,10,20H,5-7,9H2
InChIKeyWDQJCMADPLABGV-UHFFFAOYSA-N
XLogP-0.33
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
4-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 102891762
(4-hydroxypiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66483024
1-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
CID 66482050
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(3-hydroxyprop-1-ynyl)-4-methylthiophen-2-yl]methanone
CID 79976603
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66482684
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridine-4-carboxylic acid
CID 113269753
4-[3-(4-hydroxybut-1-ynyl)pyridine-4-carbonyl]piperazine-2,6-dione
CID 66483077
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 66483025
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102963984

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone (CID 66482686) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone is O=C(c1ccncc1C#CCO)N1CCn2cnnc2C1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone?
The InChIKey is WDQJCMADPLABGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-7-1-2-11-8-15-4-3-12(11)14(21)18-5-6-19-10-16-17-13(19)9-18/h3-4,8,10,20H,5-7,9H2.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone has a molecular weight of 283.29 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone is sourced from PubChem (CID 66482686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).