5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one

C15H16N6O — CID 58935902

IUPAC5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(C3CCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/C15H16N6O/c22-14-12-8-10(2-4-13(12)19-20-14)9-1-3-11(7-9)18-15-16-5-6-17-21-15/h2,4-6,8-9,11H,1,3,7H2,(H,16,18,21)(H2,19,20,22)
InChIKeyRGOUXRRECCRXRD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.79
Rot. Bonds3

About 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one

5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one (PubChem CID 58935902) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one
PubChem CID58935902
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(C3CCC(Nc4nccnn4)C3)cc12
InChIInChI=1S/C15H16N6O/c22-14-12-8-10(2-4-13(12)19-20-14)9-1-3-11(7-9)18-15-16-5-6-17-21-15/h2,4-6,8-9,11H,1,3,7H2,(H,16,18,21)(H2,19,20,22)
InChIKeyRGOUXRRECCRXRD-UHFFFAOYSA-N
XLogP1.79
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one (CID 58935902) is 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2ccc(C3CCC(Nc4nccnn4)C3)cc12.
What is the InChIKey of 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
The InChIKey is RGOUXRRECCRXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c22-14-12-8-10(2-4-13(12)19-20-14)9-1-3-11(7-9)18-15-16-5-6-17-21-15/h2,4-6,8-9,11H,1,3,7H2,(H,16,18,21)(H2,19,20,22).
What are the key properties of 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one?
5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one has a molecular weight of 296.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,2,4-triazin-3-ylamino)cyclopentyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).