3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one

C7H12N4O — CID 137004485

IUPAC3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCC1(c2n[nH]c(=O)[nH]2)CCC1
InChIInChI=1S/C7H12N4O/c8-4-7(2-1-3-7)5-9-6(12)11-10-5/h1-4,8H2,(H2,9,10,11,12)
InChIKeySGYKYIJZARCIFO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.52
Rot. Bonds2

About 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137004485) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137004485
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCC1(c2n[nH]c(=O)[nH]2)CCC1
InChIInChI=1S/C7H12N4O/c8-4-7(2-1-3-7)5-9-6(12)11-10-5/h1-4,8H2,(H2,9,10,11,12)
InChIKeySGYKYIJZARCIFO-UHFFFAOYSA-N
XLogP-0.52
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Aminopentan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136272031
3-[[1-(Aminomethyl)cyclobutyl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136293070
3-(1-Amino-2-methylbutan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136322356
3-(2-Amino-3,3-dimethylbutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136327383
3-(1-Amino-4,4-dimethylpentan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136857998
3-[1-(Aminomethyl)cyclopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136952756
3-[3-(Aminomethyl)pentan-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137012524
3-[1-(Aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137012538

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137004485) is 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one is NCC1(c2n[nH]c(=O)[nH]2)CCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SGYKYIJZARCIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-4-7(2-1-3-7)5-9-6(12)11-10-5/h1-4,8H2,(H2,9,10,11,12).
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 168.20 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137004485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).