2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide

C8H15N5O — CID 62053781

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C8H15N5O/c1-3-12(2)8(14)6-13-5-7(4-9)10-11-13/h5H,3-4,6,9H2,1-2H3
InChIKeyAHNRGPIIPAPSBF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.78
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 62053781) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID62053781
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C8H15N5O/c1-3-12(2)8(14)6-13-5-7(4-9)10-11-13/h5H,3-4,6,9H2,1-2H3
InChIKeyAHNRGPIIPAPSBF-UHFFFAOYSA-N
XLogP-0.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 106221459
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113314088
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112658923
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62054458
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide (CID 62053781) is 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is AHNRGPIIPAPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-3-12(2)8(14)6-13-5-7(4-9)10-11-13/h5H,3-4,6,9H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 197.24 g/mol, XLogP of -0.78, 4 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-ethyl-N-methylacetamide is sourced from PubChem (CID 62053781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).