3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one

C10H18N4O — CID 114686003

IUPAC3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1cnnn1C
InChIInChI=1S/C10H18N4O/c1-4-14(5-2)7-6-10(15)9-8-11-12-13(9)3/h8H,4-7H2,1-3H3
InChIKeyFEMSJIDFHBFNIW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.73
Rot. Bonds6

About 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one

3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one (PubChem CID 114686003) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one
PubChem CID114686003
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one
SMILESCCN(CC)CCC(=O)c1cnnn1C
InChIInChI=1S/C10H18N4O/c1-4-14(5-2)7-6-10(15)9-8-11-12-13(9)3/h8H,4-7H2,1-3H3
InChIKeyFEMSJIDFHBFNIW-UHFFFAOYSA-N
XLogP0.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one (CID 114686003) is 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one is CCN(CC)CCC(=O)c1cnnn1C.
What is the InChIKey of 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one?
The InChIKey is FEMSJIDFHBFNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-14(5-2)7-6-10(15)9-8-11-12-13(9)3/h8H,4-7H2,1-3H3.
What are the key properties of 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one?
3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one has a molecular weight of 210.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(3-methyltriazol-4-yl)propan-1-one is sourced from PubChem (CID 114686003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).