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

C9H17N5O — CID 62055542

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H17N5O/c1-3-13(4-2)9(15)7-14-6-8(5-10)11-12-14/h6H,3-5,7,10H2,1-2H3
InChIKeyJWHVPBFTHWEPAS-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.39
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide (PubChem CID 62055542) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
PubChem CID62055542
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H17N5O/c1-3-13(4-2)9(15)7-14-6-8(5-10)11-12-14/h6H,3-5,7,10H2,1-2H3
InChIKeyJWHVPBFTHWEPAS-UHFFFAOYSA-N
XLogP-0.39
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 115459734
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
2-[4-(aminomethyl)triazol-1-yl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 115459344
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(2-aminoethyl)triazol-1-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 116642302
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113314088
1-[4-(aminomethyl)triazol-1-yl]nonan-2-one
CID 116599685
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
CID 115459440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide (CID 62055542) is 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide?
The InChIKey is JWHVPBFTHWEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-13(4-2)9(15)7-14-6-8(5-10)11-12-14/h6H,3-5,7,10H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide has a molecular weight of 211.27 g/mol, XLogP of -0.39, 5 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-diethylacetamide is sourced from PubChem (CID 62055542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).