3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one

C10H18N4O — CID 114692097

IUPAC3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
SMILESCCCn1nncc1C(=O)CC(C)(C)N
InChIInChI=1S/C10H18N4O/c1-4-5-14-8(7-12-13-14)9(15)6-10(2,3)11/h7H,4-6,11H2,1-3H3
InChIKeyYBTGMGFCKOTAFC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.00
Rot. Bonds5

About 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one

3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one (PubChem CID 114692097) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
PubChem CID114692097
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
SMILESCCCn1nncc1C(=O)CC(C)(C)N
InChIInChI=1S/C10H18N4O/c1-4-5-14-8(7-12-13-14)9(15)6-10(2,3)11/h7H,4-6,11H2,1-3H3
InChIKeyYBTGMGFCKOTAFC-UHFFFAOYSA-N
XLogP1.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,4-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692341
1-(3-propyltriazol-4-yl)octan-1-one
CID 115802389
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692018
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
2-ethoxy-2-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114686263
(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
CID 114686087
2-naphthalen-1-yl-1-(3-propyltriazol-4-yl)ethanone
CID 105129405
3-(2,2-difluoroethoxy)-1-(3-propyltriazol-4-yl)propan-1-one
CID 103147118
(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802433
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 114685686
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 114691988

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one (CID 114692097) is 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one is CCCn1nncc1C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one?
The InChIKey is YBTGMGFCKOTAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-5-14-8(7-12-13-14)9(15)6-10(2,3)11/h7H,4-6,11H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one?
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one is sourced from PubChem (CID 114692097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).