4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

C10H18N4O — CID 116566819

IUPAC4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1ncnn1C
InChIInChI=1S/C10H18N4O/c1-4-11-8(2)5-9(15)6-10-12-7-13-14(10)3/h7-8,11H,4-6H2,1-3H3
InChIKeyCKIVMHILLHAJLY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.31
Rot. Bonds6

About 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one

4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (PubChem CID 116566819) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
PubChem CID116566819
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
SMILESCCNC(C)CC(=O)Cc1ncnn1C
InChIInChI=1S/C10H18N4O/c1-4-11-8(2)5-9(15)6-10-12-7-13-14(10)3/h7-8,11H,4-6H2,1-3H3
InChIKeyCKIVMHILLHAJLY-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

5-methoxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 105109399
4-amino-4-cyclopropyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116608862
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792
5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 79952995
5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116555705
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 114980061
1-(4-aminophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116549596
4-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103458861
4,4,4-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)butan-2-one
CID 103311493
1-(2-aminoethoxy)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 116591027
4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 114981841

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The IUPAC name of 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one (CID 116566819) is 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The canonical SMILES for 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is CCNC(C)CC(=O)Cc1ncnn1C.
What is the InChIKey of 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
The InChIKey is CKIVMHILLHAJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-11-8(2)5-9(15)6-10-12-7-13-14(10)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one?
4-(ethylamino)-1-(2-methyl-1,2,4-triazol-3-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-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one is sourced from PubChem (CID 116566819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).