7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H14N6O — CID 66281555

IUPAC7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NC3CCCNC3)ncn12
InChIInChI=1S/C10H14N6O/c17-10-15-14-9-4-8(12-6-16(9)10)13-7-2-1-3-11-5-7/h4,6-7,11,13H,1-3,5H2,(H,15,17)
InChIKeyTXIJCGAMUTUVKZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds2

About 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281555) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281555
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NC3CCCNC3)ncn12
InChIInChI=1S/C10H14N6O/c17-10-15-14-9-4-8(12-6-16(9)10)13-7-2-1-3-11-5-7/h4,6-7,11,13H,1-3,5H2,(H,15,17)
InChIKeyTXIJCGAMUTUVKZ-UHFFFAOYSA-N
XLogP-0.42
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281555) is 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NC3CCCNC3)ncn12.
What is the InChIKey of 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is TXIJCGAMUTUVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c17-10-15-14-9-4-8(12-6-16(9)10)13-7-2-1-3-11-5-7/h4,6-7,11,13H,1-3,5H2,(H,15,17).
What are the key properties of 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 234.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-3-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).