2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone

C7H12N4O — CID 84731740

IUPAC2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone
SMILESCC(C)n1nncc1C(=O)CN
InChIInChI=1S/C7H12N4O/c1-5(2)11-6(4-9-10-11)7(12)3-8/h4-5H,3,8H2,1-2H3
InChIKeyGEBQLTAKTAIOIL-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.00
Rot. Bonds3

About 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone

2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone (PubChem CID 84731740) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone
PubChem CID84731740
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone
SMILESCC(C)n1nncc1C(=O)CN
InChIInChI=1S/C7H12N4O/c1-5(2)11-6(4-9-10-11)7(12)3-8/h4-5H,3,8H2,1-2H3
InChIKeyGEBQLTAKTAIOIL-UHFFFAOYSA-N
XLogP0.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone (CID 84731740) is 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone is CC(C)n1nncc1C(=O)CN.
What is the InChIKey of 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone?
The InChIKey is GEBQLTAKTAIOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)11-6(4-9-10-11)7(12)3-8/h4-5H,3,8H2,1-2H3.
What are the key properties of 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone?
2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone has a molecular weight of 168.20 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-propan-2-yltriazol-4-yl)ethanone is sourced from PubChem (CID 84731740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).