4-propan-2-yl-2,3-dihydro-1H-triazole

C5H11N3 — CID 58111237

IUPAC4-propan-2-yl-2,3-dihydro-1H-triazole
SMILESCC(C)C1=CNNN1
InChIInChI=1S/C5H11N3/c1-4(2)5-3-6-8-7-5/h3-4,6-8H,1-2H3
InChIKeyJHIJSWGZGLLNAB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.10
Rot. Bonds1

About 4-propan-2-yl-2,3-dihydro-1H-triazole

4-propan-2-yl-2,3-dihydro-1H-triazole (PubChem CID 58111237) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydro-1H-triazole
PubChem CID58111237
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name4-propan-2-yl-2,3-dihydro-1H-triazole
SMILESCC(C)C1=CNNN1
InChIInChI=1S/C5H11N3/c1-4(2)5-3-6-8-7-5/h3-4,6-8H,1-2H3
InChIKeyJHIJSWGZGLLNAB-UHFFFAOYSA-N
XLogP0.10
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3-dihydro-1H-triazole?
The IUPAC name of 4-propan-2-yl-2,3-dihydro-1H-triazole (CID 58111237) is 4-propan-2-yl-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydro-1H-triazole?
The canonical SMILES for 4-propan-2-yl-2,3-dihydro-1H-triazole is CC(C)C1=CNNN1.
What is the InChIKey of 4-propan-2-yl-2,3-dihydro-1H-triazole?
The InChIKey is JHIJSWGZGLLNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-4(2)5-3-6-8-7-5/h3-4,6-8H,1-2H3.
What are the key properties of 4-propan-2-yl-2,3-dihydro-1H-triazole?
4-propan-2-yl-2,3-dihydro-1H-triazole has a molecular weight of 113.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3-dihydro-1H-triazole is sourced from PubChem (CID 58111237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).