4,5-dihydro-3H-1,2,4-triazole

C2H5N3 — CID 22435546

IUPAC4,5-dihydro-3H-1,2,4-triazole
SMILESC1N=NCN1
InChIInChI=1S/C2H5N3/c1-3-2-5-4-1/h3H,1-2H2
InChIKeyRBSVPKWBWJHWNY-UHFFFAOYSA-N
MW71.08 g/mol
LogP-0.04
Rot. Bonds

About 4,5-dihydro-3H-1,2,4-triazole

4,5-dihydro-3H-1,2,4-triazole (PubChem CID 22435546) has the molecular formula C2H5N3 and a molecular weight of 71.08 g/mol. Its IUPAC name is 4,5-dihydro-3H-1,2,4-triazole.

Molecular Properties

Compound Name4,5-dihydro-3H-1,2,4-triazole
PubChem CID22435546
Molecular FormulaC2H5N3
Molecular Weight71.08 g/mol
Exact Mass71.05
IUPAC Name4,5-dihydro-3H-1,2,4-triazole
SMILESC1N=NCN1
InChIInChI=1S/C2H5N3/c1-3-2-5-4-1/h3H,1-2H2
InChIKeyRBSVPKWBWJHWNY-UHFFFAOYSA-N
XLogP-0.04
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.08
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-1,2,4-triazole?
The IUPAC name of 4,5-dihydro-3H-1,2,4-triazole (CID 22435546) is 4,5-dihydro-3H-1,2,4-triazole.
What is the SMILES notation for 4,5-dihydro-3H-1,2,4-triazole?
The canonical SMILES for 4,5-dihydro-3H-1,2,4-triazole is C1N=NCN1.
What is the InChIKey of 4,5-dihydro-3H-1,2,4-triazole?
The InChIKey is RBSVPKWBWJHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3/c1-3-2-5-4-1/h3H,1-2H2.
What are the key properties of 4,5-dihydro-3H-1,2,4-triazole?
4,5-dihydro-3H-1,2,4-triazole has a molecular weight of 71.08 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-1,2,4-triazole is sourced from PubChem (CID 22435546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).