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

C12H18N6O — CID 60658927

IUPAC2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C12H18N6O/c1-4-5-13-11(19)9(3)17-10-6-8(2)16-12-14-7-15-18(10)12/h6-7,9,17H,4-5H2,1-3H3,(H,13,19)
InChIKeyALRBUPYVHOTLJH-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.76
Rot. Bonds5

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

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide (PubChem CID 60658927) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
PubChem CID60658927
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C12H18N6O/c1-4-5-13-11(19)9(3)17-10-6-8(2)16-12-14-7-15-18(10)12/h6-7,9,17H,4-5H2,1-3H3,(H,13,19)
InChIKeyALRBUPYVHOTLJH-UHFFFAOYSA-N
XLogP0.76
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide (CID 60658927) is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc(C)nc2ncnn12.
What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide?
The InChIKey is ALRBUPYVHOTLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-5-13-11(19)9(3)17-10-6-8(2)16-12-14-7-15-18(10)12/h6-7,9,17H,4-5H2,1-3H3,(H,13,19).
What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide?
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide has a molecular weight of 262.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 60658927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).