3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide

C15H24N6O — CID 8852700

IUPAC3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C15H24N6O/c1-5-11(6-2)18-13(22)8-7-12-9(3)17-15-19-14(16)20-21(15)10(12)4/h11H,5-8H2,1-4H3,(H2,16,20)(H,18,22)
InChIKeyCCGODPUDBLDTIG-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.56
Rot. Bonds6

About 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide

3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide (PubChem CID 8852700) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide
PubChem CID8852700
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)CCc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C15H24N6O/c1-5-11(6-2)18-13(22)8-7-12-9(3)17-15-19-14(16)20-21(15)10(12)4/h11H,5-8H2,1-4H3,(H2,16,20)(H,18,22)
InChIKeyCCGODPUDBLDTIG-UHFFFAOYSA-N
XLogP1.56
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide (CID 8852700) is 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)CCc1c(C)nc2nc(N)nn2c1C.
What is the InChIKey of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide?
The InChIKey is CCGODPUDBLDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-5-11(6-2)18-13(22)8-7-12-9(3)17-15-19-14(16)20-21(15)10(12)4/h11H,5-8H2,1-4H3,(H2,16,20)(H,18,22).
What are the key properties of 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide?
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide has a molecular weight of 304.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 8852700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).