3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one

C11H20N4O — CID 151800489

IUPAC3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one
SMILESCC(C)N(CCC(=O)n1ccnn1)C(C)C
InChIInChI=1S/C11H20N4O/c1-9(2)14(10(3)4)7-5-11(16)15-8-6-12-13-15/h6,8-10H,5,7H2,1-4H3
InChIKeyRYMVCZHAUKFOOM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.43
Rot. Bonds5

About 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one

3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one (PubChem CID 151800489) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one
PubChem CID151800489
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one
SMILESCC(C)N(CCC(=O)n1ccnn1)C(C)C
InChIInChI=1S/C11H20N4O/c1-9(2)14(10(3)4)7-5-11(16)15-8-6-12-13-15/h6,8-10H,5,7H2,1-4H3
InChIKeyRYMVCZHAUKFOOM-UHFFFAOYSA-N
XLogP1.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one?
The IUPAC name of 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one (CID 151800489) is 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one?
The canonical SMILES for 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one is CC(C)N(CCC(=O)n1ccnn1)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one?
The InChIKey is RYMVCZHAUKFOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)14(10(3)4)7-5-11(16)15-8-6-12-13-15/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one?
3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one has a molecular weight of 224.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-1-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 151800489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).