4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one

C10H18N4O — CID 107061983

IUPAC4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H18N4O/c1-4-11-8(2)5-10(15)6-9-7-14(3)13-12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyLHGNPWVJJAZMHL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.31
Rot. Bonds6

About 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one

4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one (PubChem CID 107061983) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
PubChem CID107061983
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H18N4O/c1-4-11-8(2)5-10(15)6-9-7-14(3)13-12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyLHGNPWVJJAZMHL-UHFFFAOYSA-N
XLogP0.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061961
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755761
4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116566819
3-ethoxy-1-(1-methyltriazol-4-yl)butan-2-one
CID 107047079
4-(ethylamino)-1-phenylpentan-2-one
CID 116566589
1-cyclobutyl-3-(1-methyltriazol-4-yl)propan-2-one
CID 107063090
1-(4-bromophenyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107046831
3-methoxy-4-methyl-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107047490

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one?
The IUPAC name of 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one (CID 107061983) is 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one?
The canonical SMILES for 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one is CCNC(C)CC(=O)Cc1cn(C)nn1.
What is the InChIKey of 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one?
The InChIKey is LHGNPWVJJAZMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-11-8(2)5-10(15)6-9-7-14(3)13-12-9/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one?
4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one is sourced from PubChem (CID 107061983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).