2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide

C12H18N6O2 — CID 66281407

IUPAC2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H18N6O2/c1-4-5-13-11(19)7(2)14-9-6-10-16-17-12(20)18(10)8(3)15-9/h6-7,14H,4-5H2,1-3H3,(H,13,19)(H,17,20)
InChIKeyLEVPHRORNBPGJM-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.05
Rot. Bonds5

About 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide

2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide (PubChem CID 66281407) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide
PubChem CID66281407
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H18N6O2/c1-4-5-13-11(19)7(2)14-9-6-10-16-17-12(20)18(10)8(3)15-9/h6-7,14H,4-5H2,1-3H3,(H,13,19)(H,17,20)
InChIKeyLEVPHRORNBPGJM-UHFFFAOYSA-N
XLogP0.05
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide (CID 66281407) is 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-methyl-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)n2c(C)n1.
What is the InChIKey of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
The InChIKey is LEVPHRORNBPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-5-13-11(19)7(2)14-9-6-10-16-17-12(20)18(10)8(3)15-9/h6-7,14H,4-5H2,1-3H3,(H,13,19)(H,17,20).
What are the key properties of 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide?
2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide has a molecular weight of 278.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 66281407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).