N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide

C13H21N5O — CID 138033075

IUPACN-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
SMILESCCn1cc(CNC(=O)C2NCC23CCCC3)nn1
InChIInChI=1S/C13H21N5O/c1-2-18-8-10(16-17-18)7-14-12(19)11-13(9-15-11)5-3-4-6-13/h8,11,15H,2-7,9H2,1H3,(H,14,19)
InChIKeyYCTUTNGTKVJOGD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.45
Rot. Bonds4

About N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide

N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide (PubChem CID 138033075) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
PubChem CID138033075
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
SMILESCCn1cc(CNC(=O)C2NCC23CCCC3)nn1
InChIInChI=1S/C13H21N5O/c1-2-18-8-10(16-17-18)7-14-12(19)11-13(9-15-11)5-3-4-6-13/h8,11,15H,2-7,9H2,1H3,(H,14,19)
InChIKeyYCTUTNGTKVJOGD-UHFFFAOYSA-N
XLogP0.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
CID 130575204
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
CID 167747676
2-[4-[(1,3-thiazolidine-4-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 115458165
2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075
N-[[1-[(1-aminocyclopropyl)methyl]triazol-4-yl]methyl]acetamide
CID 82018027
2-[4-[[(4-methoxypyrrolidine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458139
2-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458126
N-[(1-ethyltriazol-4-yl)methyl]-3-[formyl(methyl)amino]butanamide
CID 88857423
N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclohexanecarboxamide
CID 156509217
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679
2-[4-[(oxane-2-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 113313868
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?
The IUPAC name of N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide (CID 138033075) is N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide.
What is the SMILES notation for N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?
The canonical SMILES for N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide is CCn1cc(CNC(=O)C2NCC23CCCC3)nn1.
What is the InChIKey of N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?
The InChIKey is YCTUTNGTKVJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-18-8-10(16-17-18)7-14-12(19)11-13(9-15-11)5-3-4-6-13/h8,11,15H,2-7,9H2,1H3,(H,14,19).
What are the key properties of N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?
N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyltriazol-4-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide is sourced from PubChem (CID 138033075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).