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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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 113314181
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclopenten-1-yl)ethyl]acetamide
CID 114154047
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 115458989
2-[4-(aminomethyl)triazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 113314182
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435

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).