5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

C9H6N6O — CID 135535891

IUPAC5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(-c2ccncc2)nc2n[nH]nc12
InChIInChI=1S/C9H6N6O/c16-9-6-8(14-15-13-6)11-7(12-9)5-1-3-10-4-2-5/h1-4H,(H2,11,12,13,14,15,16)
InChIKeyNWVFCQRYIOXLFA-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.10
Rot. Bonds1

About 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one

5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one (PubChem CID 135535891) has the molecular formula C9H6N6O and a molecular weight of 214.19 g/mol. Its IUPAC name is 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
PubChem CID135535891
Molecular FormulaC9H6N6O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
SMILESO=c1[nH]c(-c2ccncc2)nc2n[nH]nc12
InChIInChI=1S/C9H6N6O/c16-9-6-8(14-15-13-6)11-7(12-9)5-1-3-10-4-2-5/h1-4H,(H2,11,12,13,14,15,16)
InChIKeyNWVFCQRYIOXLFA-UHFFFAOYSA-N
XLogP0.10
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Fluorophenyl)-6-(pyridin-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7162117
1-Ethyl-3-methyl-5-pyridin-4-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626434
1,3-Dimethyl-5-pyridin-4-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626445
5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3240831
1,3-Dimethyl-5-pyridin-3-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626426
6-(2-methylbutyl)-1-(4-methyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136035133
1-Benzyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 653230
N-(5-fluoro-2-pyridinyl)-2H-triazole-4-carboxamide
CID 16663197
N-(3-Chlorophenyl)-5-(pyridin-4-ylmethylamino)-1H-1,2,3-triazole-4-carboxamide
CID 44564689
5-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole-4-carboxamide
CID 44564691
9-cyclopentyl-2-pyridin-4-yl-1H-purin-6-one
CID 135407136
2-(Pyridin-4-yl)-1H-purin-6(9H)-one
CID 135453826

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one (CID 135535891) is 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one is O=c1[nH]c(-c2ccncc2)nc2n[nH]nc12.
What is the InChIKey of 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is NWVFCQRYIOXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O/c16-9-6-8(14-15-13-6)11-7(12-9)5-1-3-10-4-2-5/h1-4H,(H2,11,12,13,14,15,16).
What are the key properties of 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one?
5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 214.19 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135535891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).