4-cyclopropyl-1H-1,2,4-triazol-5-one

C5H7N3O — CID 115394210

IUPAC4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CC1
InChIInChI=1S/C5H7N3O/c9-5-7-6-3-8(5)4-1-2-4/h3-4H,1-2H2,(H,7,9)
InChIKeySALLHSRFSVUMKV-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.09
Rot. Bonds1

About 4-cyclopropyl-1H-1,2,4-triazol-5-one

4-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 115394210) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID115394210
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CC1
InChIInChI=1S/C5H7N3O/c9-5-7-6-3-8(5)4-1-2-4/h3-4H,1-2H2,(H,7,9)
InChIKeySALLHSRFSVUMKV-UHFFFAOYSA-N
XLogP-0.09
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-1H-1,2,4-triazol-5-one (CID 115394210) is 4-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is SALLHSRFSVUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c9-5-7-6-3-8(5)4-1-2-4/h3-4H,1-2H2,(H,7,9).
What are the key properties of 4-cyclopropyl-1H-1,2,4-triazol-5-one?
4-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 125.13 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 115394210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).