2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide

C15H23N7O2 — CID 42925014

IUPAC2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C15H23N7O2/c1-5-6-17-13(24)9(3)18-12(23)7-11-8(2)19-15-20-14(16)21-22(15)10(11)4/h9H,5-7H2,1-4H3,(H2,16,21)(H,17,24)(H,18,23)
InChIKeySIUCEAMIKRHKRK-UHFFFAOYSA-N
MW333.40 g/mol
LogP-0.10
Rot. Bonds6

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

2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 42925014) has the molecular formula C15H23N7O2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide
PubChem CID42925014
Molecular FormulaC15H23N7O2
Molecular Weight333.40 g/mol
Exact Mass333.19
IUPAC Name2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C15H23N7O2/c1-5-6-17-13(24)9(3)18-12(23)7-11-8(2)19-15-20-14(16)21-22(15)10(11)4/h9H,5-7H2,1-4H3,(H2,16,21)(H,17,24)(H,18,23)
InChIKeySIUCEAMIKRHKRK-UHFFFAOYSA-N
XLogP-0.10
TPSA127.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide (CID 42925014) is 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C.
What is the InChIKey of 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is SIUCEAMIKRHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O2/c1-5-6-17-13(24)9(3)18-12(23)7-11-8(2)19-15-20-14(16)21-22(15)10(11)4/h9H,5-7H2,1-4H3,(H2,16,21)(H,17,24)(H,18,23).
What are the key properties of 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide?
2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 333.40 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 42925014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).