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

C6H10N4O — CID 136965952

IUPAC5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one
SMILESNCc1nn(C2CC2)c(=O)[nH]1
InChIInChI=1S/C6H10N4O/c7-3-5-8-6(11)10(9-5)4-1-2-4/h4H,1-3,7H2,(H,8,9,11)
InChIKeyYUMZGWDQYWXABV-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.63
Rot. Bonds2

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

5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one (PubChem CID 136965952) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one
PubChem CID136965952
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one
SMILESNCc1nn(C2CC2)c(=O)[nH]1
InChIInChI=1S/C6H10N4O/c7-3-5-8-6(11)10(9-5)4-1-2-4/h4H,1-3,7H2,(H,8,9,11)
InChIKeyYUMZGWDQYWXABV-UHFFFAOYSA-N
XLogP-0.63
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one (CID 136965952) is 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one is NCc1nn(C2CC2)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one?
The InChIKey is YUMZGWDQYWXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-3-5-8-6(11)10(9-5)4-1-2-4/h4H,1-3,7H2,(H,8,9,11).
What are the key properties of 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one?
5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one has a molecular weight of 154.17 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-cyclopropyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136965952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).