2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide

C11H21N5O — CID 62053642

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H21N5O/c1-3-5-15(6-4-2)11(17)9-16-8-10(7-12)13-14-16/h8H,3-7,9,12H2,1-2H3
InChIKeyLDCGNERPKKLLKP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.39
Rot. Bonds7

About 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide (PubChem CID 62053642) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
PubChem CID62053642
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H21N5O/c1-3-5-15(6-4-2)11(17)9-16-8-10(7-12)13-14-16/h8H,3-7,9,12H2,1-2H3
InChIKeyLDCGNERPKKLLKP-UHFFFAOYSA-N
XLogP0.39
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 115459734
2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 115459344
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
CID 66193073
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 115459440
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112658923
1-[2-[2-(dimethylamino)ethyl-propylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290168
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide (CID 62053642) is 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is LDCGNERPKKLLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-5-15(6-4-2)11(17)9-16-8-10(7-12)13-14-16/h8H,3-7,9,12H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 62053642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).