2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide

C13H26N6O2 — CID 115459440

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCCN(C)C)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C13H26N6O2/c1-17(2)5-4-6-18(7-8-21-3)13(20)11-19-10-12(9-14)15-16-19/h10H,4-9,11,14H2,1-3H3
InChIKeyNIURBEJQGNNDCX-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.84
Rot. Bonds10

About 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide (PubChem CID 115459440) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
PubChem CID115459440
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCCN(C)C)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C13H26N6O2/c1-17(2)5-4-6-18(7-8-21-3)13(20)11-19-10-12(9-14)15-16-19/h10H,4-9,11,14H2,1-3H3
InChIKeyNIURBEJQGNNDCX-UHFFFAOYSA-N
XLogP-0.84
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide (CID 115459440) is 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide is COCCN(CCCN(C)C)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is NIURBEJQGNNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-17(2)5-4-6-18(7-8-21-3)13(20)11-19-10-12(9-14)15-16-19/h10H,4-9,11,14H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of -0.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115459440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).