2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one

C8H14N4O — CID 84768773

IUPAC2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one
SMILESCC(N)C(=O)c1ncnn1C(C)C
InChIInChI=1S/C8H14N4O/c1-5(2)12-8(10-4-11-12)7(13)6(3)9/h4-6H,9H2,1-3H3
InChIKeyRAJHYGDCZJEOBB-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.39
Rot. Bonds3

About 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one

2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one (PubChem CID 84768773) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one
PubChem CID84768773
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one
SMILESCC(N)C(=O)c1ncnn1C(C)C
InChIInChI=1S/C8H14N4O/c1-5(2)12-8(10-4-11-12)7(13)6(3)9/h4-6H,9H2,1-3H3
InChIKeyRAJHYGDCZJEOBB-UHFFFAOYSA-N
XLogP0.39
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole
CID 115011837
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633
(2-fluoro-5-methylphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 112744468
3-amino-4-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116594219
(2-propan-2-yl-1,2,4-triazol-3-yl)boronic acid
CID 126978964
1-(2-ethyl-1,2,4-triazol-3-yl)-2-methylpropan-1-one
CID 130529478
[4-(ethylamino)oxolan-3-yl]-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 112744696
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
but-3-enyl 2-propan-2-yl-1,2,4-triazole-3-carboximidate
CID 167047185
2,3-dimethyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 83149402
2-chloro-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]propanamide
CID 146107348
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one (CID 84768773) is 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one is CC(N)C(=O)c1ncnn1C(C)C.
What is the InChIKey of 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one?
The InChIKey is RAJHYGDCZJEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)12-8(10-4-11-12)7(13)6(3)9/h4-6H,9H2,1-3H3.
What are the key properties of 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one?
2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one has a molecular weight of 182.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one is sourced from PubChem (CID 84768773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).