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

C5H11N3 — CID 154658160

IUPAC5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole
SMILESCCC1=NC(C)NN1
InChIInChI=1S/C5H11N3/c1-3-5-6-4(2)7-8-5/h4,7H,3H2,1-2H3,(H,6,8)
InChIKeyBVBAAXQMRMELAM-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.25
Rot. Bonds1

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

5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole (PubChem CID 154658160) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole
PubChem CID154658160
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole
SMILESCCC1=NC(C)NN1
InChIInChI=1S/C5H11N3/c1-3-5-6-4(2)7-8-5/h4,7H,3H2,1-2H3,(H,6,8)
InChIKeyBVBAAXQMRMELAM-UHFFFAOYSA-N
XLogP0.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)hydrazine
CID 86232410
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CID 118568224
4-ethyl-3-methyl-2,3-dihydro-1H-pyrazol-5-amine
CID 86340495
ethane;2-ethyl-3a,7a-dihydro-1H-benzimidazole
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2-ethyl-4,5-dihydro-1H-imidazole-5-thiol
CID 150065856
5-ethyl-3-methylidene-1H-1,2,4-triazol-2-amine
CID 174937120
1,2-diethyl-4,5-dimethylcyclohexene
CID 74022411
4-ethyl-2-[tris(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
CID 58890537
2,4,5-trimethyl-1,4-dihydropyrimidine
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CID 53215388
2-(azetidin-3-yl)-5-ethylpyrimidine
CID 84651719

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole (CID 154658160) is 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole is CCC1=NC(C)NN1.
What is the InChIKey of 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole?
The InChIKey is BVBAAXQMRMELAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-5-6-4(2)7-8-5/h4,7H,3H2,1-2H3,(H,6,8).
What are the key properties of 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole?
5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole has a molecular weight of 113.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2,3-dihydro-1H-1,2,4-triazole is sourced from PubChem (CID 154658160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).