2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide

C11H19N5O2 — CID 54885342

IUPAC2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c1-7(15-10(18)11(2,3)4)9(17)12-5-8-13-6-14-16-8/h6-7H,5H2,1-4H3,(H,12,17)(H,15,18)(H,13,14,16)
InChIKeyNLUUBQCLCKJBCW-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.03
Rot. Bonds4

About 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide (PubChem CID 54885342) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide
PubChem CID54885342
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c1-7(15-10(18)11(2,3)4)9(17)12-5-8-13-6-14-16-8/h6-7H,5H2,1-4H3,(H,12,17)(H,15,18)(H,13,14,16)
InChIKeyNLUUBQCLCKJBCW-UHFFFAOYSA-N
XLogP-0.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.03
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-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide (CID 54885342) is 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide?
The InChIKey is NLUUBQCLCKJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7(15-10(18)11(2,3)4)9(17)12-5-8-13-6-14-16-8/h6-7H,5H2,1-4H3,(H,12,17)(H,15,18)(H,13,14,16).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide has a molecular weight of 253.31 g/mol, XLogP of -0.03, 4 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-oxo-1-(1H-1,2,4-triazol-5-ylmethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 54885342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).