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

C3H7N3 — CID 58866189

IUPAC4-methyl-2,3-dihydro-1H-triazole
SMILESCC1=CNNN1
InChIInChI=1S/C3H7N3/c1-3-2-4-6-5-3/h2,4-6H,1H3
InChIKeySAHUPBORZILUGT-UHFFFAOYSA-N
MW85.11 g/mol
LogP-0.54
Rot. Bonds

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

4-methyl-2,3-dihydro-1H-triazole (PubChem CID 58866189) has the molecular formula C3H7N3 and a molecular weight of 85.11 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1H-triazole.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1H-triazole
PubChem CID58866189
Molecular FormulaC3H7N3
Molecular Weight85.11 g/mol
Exact Mass85.06
IUPAC Name4-methyl-2,3-dihydro-1H-triazole
SMILESCC1=CNNN1
InChIInChI=1S/C3H7N3/c1-3-2-4-6-5-3/h2,4-6H,1H3
InChIKeySAHUPBORZILUGT-UHFFFAOYSA-N
XLogP-0.54
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1H-triazole?
The IUPAC name of 4-methyl-2,3-dihydro-1H-triazole (CID 58866189) is 4-methyl-2,3-dihydro-1H-triazole.
What is the SMILES notation for 4-methyl-2,3-dihydro-1H-triazole?
The canonical SMILES for 4-methyl-2,3-dihydro-1H-triazole is CC1=CNNN1.
What is the InChIKey of 4-methyl-2,3-dihydro-1H-triazole?
The InChIKey is SAHUPBORZILUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3/c1-3-2-4-6-5-3/h2,4-6H,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1H-triazole?
4-methyl-2,3-dihydro-1H-triazole has a molecular weight of 85.11 g/mol, XLogP of -0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1H-triazole is sourced from PubChem (CID 58866189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).