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

C11H17N7O — CID 115459572

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H17N7O/c1-17-5-4-13-10(17)2-3-14-11(19)8-18-7-9(6-12)15-16-18/h4-5,7H,2-3,6,8,12H2,1H3,(H,14,19)
InChIKeyHNGYSSOHEUVUDK-UHFFFAOYSA-N
MW263.31 g/mol
LogP-1.17
Rot. Bonds6

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

2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (PubChem CID 115459572) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
PubChem CID115459572
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
SMILESCn1ccnc1CCNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H17N7O/c1-17-5-4-13-10(17)2-3-14-11(19)8-18-7-9(6-12)15-16-18/h4-5,7H,2-3,6,8,12H2,1H3,(H,14,19)
InChIKeyHNGYSSOHEUVUDK-UHFFFAOYSA-N
XLogP-1.17
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide (CID 115459572) is 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is Cn1ccnc1CCNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
The InChIKey is HNGYSSOHEUVUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-17-5-4-13-10(17)2-3-14-11(19)8-18-7-9(6-12)15-16-18/h4-5,7H,2-3,6,8,12H2,1H3,(H,14,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide has a molecular weight of 263.31 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 115459572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).