5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one

C8H14N4O — CID 136966006

IUPAC5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one
SMILESNCc1nn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C8H14N4O/c9-5-7-10-8(13)12(11-7)6-3-1-2-4-6/h6H,1-5,9H2,(H,10,11,13)
InChIKeyFBAWZIWXWRWUDG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.15
Rot. Bonds2

About 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one

5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one (PubChem CID 136966006) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one
PubChem CID136966006
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one
SMILESNCc1nn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C8H14N4O/c9-5-7-10-8(13)12(11-7)6-3-1-2-4-6/h6H,1-5,9H2,(H,10,11,13)
InChIKeyFBAWZIWXWRWUDG-UHFFFAOYSA-N
XLogP0.15
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-one
CID 136313343
4-amino-N-cyclopentyl-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 14405218
2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one
CID 135698166
4-(azetidin-3-yl)-2-cyclopentyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 121208034
3-[(Cyclopentylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136041655
2-(2-aminopropyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 136313174
2-(2-aminopropyl)-5-ethyl-4H-1,2,4-triazol-3-one
CID 136313188
5-methyl-2-piperidin-3-yl-4H-1,2,4-triazol-3-one
CID 136313205
5-methyl-2-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136313207
5-ethyl-2-piperidin-3-yl-4H-1,2,4-triazol-3-one
CID 136313235
5-ethyl-2-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136313237
5-methyl-2-(piperidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136313240

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one (CID 136966006) is 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one is NCc1nn(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one?
The InChIKey is FBAWZIWXWRWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-5-7-10-8(13)12(11-7)6-3-1-2-4-6/h6H,1-5,9H2,(H,10,11,13).
What are the key properties of 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one?
5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one has a molecular weight of 182.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136966006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).