2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide

C9H16N6O2 — CID 112530623

IUPAC2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)N(C)C)nn1
InChIInChI=1S/C9H16N6O2/c1-13(2)8(16)6-15-5-7(11-12-15)10-9(17)14(3)4/h5H,6H2,1-4H3,(H,10,17)
InChIKeySLTKCINKUXDZTR-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.54
Rot. Bonds3

About 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide (PubChem CID 112530623) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
PubChem CID112530623
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(NC(=O)N(C)C)nn1
InChIInChI=1S/C9H16N6O2/c1-13(2)8(16)6-15-5-7(11-12-15)10-9(17)14(3)4/h5H,6H2,1-4H3,(H,10,17)
InChIKeySLTKCINKUXDZTR-UHFFFAOYSA-N
XLogP-0.54
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 112530841
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112522077
3-[1-[2-[3-(2-aminoethyl)indol-1-yl]-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
CID 112528885
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 112522829
N,N-dimethyl-2-(4-nitrotriazol-1-yl)acetamide
CID 170762757
N-[1-(aminomethyl)triazol-4-yl]acetamide
CID 129156156
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide (CID 112530623) is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(NC(=O)N(C)C)nn1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is SLTKCINKUXDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-13(2)8(16)6-15-5-7(11-12-15)10-9(17)14(3)4/h5H,6H2,1-4H3,(H,10,17).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide?
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 240.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 112530623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).