2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide

C11H19N5O2 — CID 78927928

IUPAC2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)NC(=O)C(C)(C)C)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-6(12-9(18)11(3,4)5)8(17)14-10-13-7(2)15-16-10/h6H,1-5H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyQLAMVDQSODXJPB-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.60
Rot. Bonds3

About 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide

2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide (PubChem CID 78927928) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide
PubChem CID78927928
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)NC(=O)C(C)(C)C)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-6(12-9(18)11(3,4)5)8(17)14-10-13-7(2)15-16-10/h6H,1-5H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyQLAMVDQSODXJPB-UHFFFAOYSA-N
XLogP0.60
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide (CID 78927928) is 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide is Cc1nc(NC(=O)C(C)NC(=O)C(C)(C)C)n[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is QLAMVDQSODXJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6(12-9(18)11(3,4)5)8(17)14-10-13-7(2)15-16-10/h6H,1-5H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide?
2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 253.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 78927928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).