2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide

C11H16N6O2 — CID 66281928

IUPAC2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O2/c1-3-4-12-10(18)7(2)14-8-5-9-15-16-11(19)17(9)6-13-8/h5-7,14H,3-4H2,1-2H3,(H,12,18)(H,16,19)
InChIKeyJIPWPISVBMGPBY-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.26
Rot. Bonds5

About 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide

2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide (PubChem CID 66281928) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide
PubChem CID66281928
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H16N6O2/c1-3-4-12-10(18)7(2)14-8-5-9-15-16-11(19)17(9)6-13-8/h5-7,14H,3-4H2,1-2H3,(H,12,18)(H,16,19)
InChIKeyJIPWPISVBMGPBY-UHFFFAOYSA-N
XLogP-0.26
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide (CID 66281928) is 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
The InChIKey is JIPWPISVBMGPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-4-12-10(18)7(2)14-8-5-9-15-16-11(19)17(9)6-13-8/h5-7,14H,3-4H2,1-2H3,(H,12,18)(H,16,19).
What are the key properties of 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide has a molecular weight of 264.29 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 66281928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).