2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide

C11H19N7O2 — CID 112530841

IUPAC2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
SMILESCN(C)C(=O)Nc1cn(CC(=O)NC2CCNC2)nn1
InChIInChI=1S/C11H19N7O2/c1-17(2)11(20)14-9-6-18(16-15-9)7-10(19)13-8-3-4-12-5-8/h6,8,12H,3-5,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyOMLKKZALJZHHHP-UHFFFAOYSA-N
MW281.32 g/mol
LogP-1.15
Rot. Bonds4

About 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide (PubChem CID 112530841) has the molecular formula C11H19N7O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
PubChem CID112530841
Molecular FormulaC11H19N7O2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
SMILESCN(C)C(=O)Nc1cn(CC(=O)NC2CCNC2)nn1
InChIInChI=1S/C11H19N7O2/c1-17(2)11(20)14-9-6-18(16-15-9)7-10(19)13-8-3-4-12-5-8/h6,8,12H,3-5,7H2,1-2H3,(H,13,19)(H,14,20)
InChIKeyOMLKKZALJZHHHP-UHFFFAOYSA-N
XLogP-1.15
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
CID 112530623
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112522077
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 112522829
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide
CID 167753873
3-[1-[2-[3-(2-aminoethyl)indol-1-yl]-2-oxoethyl]triazol-4-yl]-1,1-dimethylurea
CID 112528885
N-pyrrolidin-3-ylpropanamide
CID 18337238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide (CID 112530841) is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide is CN(C)C(=O)Nc1cn(CC(=O)NC2CCNC2)nn1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide?
The InChIKey is OMLKKZALJZHHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7O2/c1-17(2)11(20)14-9-6-18(16-15-9)7-10(19)13-8-3-4-12-5-8/h6,8,12H,3-5,7H2,1-2H3,(H,13,19)(H,14,20).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide?
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide has a molecular weight of 281.32 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 112530841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).