3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one

C8H14N4O — CID 107061961

IUPAC3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
SMILESCNC(C)C(=O)Cc1cn(C)nn1
InChIInChI=1S/C8H14N4O/c1-6(9-2)8(13)4-7-5-12(3)11-10-7/h5-6,9H,4H2,1-3H3
InChIKeyLTLYERCFZCVXOW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.47
Rot. Bonds4

About 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one

3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one (PubChem CID 107061961) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
PubChem CID107061961
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
SMILESCNC(C)C(=O)Cc1cn(C)nn1
InChIInChI=1S/C8H14N4O/c1-6(9-2)8(13)4-7-5-12(3)11-10-7/h5-6,9H,4H2,1-3H3
InChIKeyLTLYERCFZCVXOW-UHFFFAOYSA-N
XLogP-0.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-methyl-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107047490
3-ethoxy-1-(1-methyltriazol-4-yl)butan-2-one
CID 107047079
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
4-methyl-1-(1-methyltriazol-4-yl)hexan-2-one
CID 107062841
4-(ethylamino)-1-(1-methyltriazol-4-yl)pentan-2-one
CID 107061983
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
1-cyclopropyl-1-ethoxy-3-(1-methyltriazol-4-yl)propan-2-one
CID 107047497
4-amino-1-(1-methyltriazol-4-yl)-3-phenylbutan-2-one
CID 107061986
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
N-ethyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755761
3-methyl-1-(1-propan-2-yltriazol-4-yl)butan-2-one
CID 118041108
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one?
The IUPAC name of 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one (CID 107061961) is 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one.
What is the SMILES notation for 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one?
The canonical SMILES for 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one is CNC(C)C(=O)Cc1cn(C)nn1.
What is the InChIKey of 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one?
The InChIKey is LTLYERCFZCVXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(9-2)8(13)4-7-5-12(3)11-10-7/h5-6,9H,4H2,1-3H3.
What are the key properties of 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one?
3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one is sourced from PubChem (CID 107061961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).