2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C12H21N5O — CID 81168802

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H21N5O/c1-17-9-15-16-10(17)3-6-14-11(18)7-12(8-13)4-2-5-12/h9H,2-8,13H2,1H3,(H,14,18)
InChIKeyLZSBASAXOSLEJV-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.01
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 81168802) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID81168802
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnnc1CCNC(=O)CC1(CN)CCC1
InChIInChI=1S/C12H21N5O/c1-17-9-15-16-10(17)3-6-14-11(18)7-12(8-13)4-2-5-12/h9H,2-8,13H2,1H3,(H,14,18)
InChIKeyLZSBASAXOSLEJV-UHFFFAOYSA-N
XLogP-0.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 81168802) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnnc1CCNC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is LZSBASAXOSLEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-17-9-15-16-10(17)3-6-14-11(18)7-12(8-13)4-2-5-12/h9H,2-8,13H2,1H3,(H,14,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 81168802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).