5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole

C6H11N3 — CID 90428571

IUPAC5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole
SMILESCC1(C2=NCNN2)CC1
InChIInChI=1S/C6H11N3/c1-6(2-3-6)5-7-4-8-9-5/h8H,2-4H2,1H3,(H,7,9)
InChIKeyBMXCALJDXAYIJZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.25
Rot. Bonds1

About 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole

5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole (PubChem CID 90428571) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole
PubChem CID90428571
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole
SMILESCC1(C2=NCNN2)CC1
InChIInChI=1S/C6H11N3/c1-6(2-3-6)5-7-4-8-9-5/h8H,2-4H2,1H3,(H,7,9)
InChIKeyBMXCALJDXAYIJZ-UHFFFAOYSA-N
XLogP0.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole?
The IUPAC name of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole (CID 90428571) is 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole?
The canonical SMILES for 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole is CC1(C2=NCNN2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole?
The InChIKey is BMXCALJDXAYIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(2-3-6)5-7-4-8-9-5/h8H,2-4H2,1H3,(H,7,9).
What are the key properties of 5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole?
5-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole has a molecular weight of 125.17 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-(1-methylcyclopropyl)-2,3-dihydro-1H-1,2,4-triazole is sourced from PubChem (CID 90428571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).