3,5-dimethyl-1,2-dihydrotriazole

C4H9N3 — CID 59556528

IUPAC3,5-dimethyl-1,2-dihydrotriazole
SMILESCC1=CN(C)NN1
InChIInChI=1S/C4H9N3/c1-4-3-7(2)6-5-4/h3,5-6H,1-2H3
InChIKeyHXKAMSYMKXBBPP-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.20
Rot. Bonds

About 3,5-dimethyl-1,2-dihydrotriazole

3,5-dimethyl-1,2-dihydrotriazole (PubChem CID 59556528) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name3,5-dimethyl-1,2-dihydrotriazole
PubChem CID59556528
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name3,5-dimethyl-1,2-dihydrotriazole
SMILESCC1=CN(C)NN1
InChIInChI=1S/C4H9N3/c1-4-3-7(2)6-5-4/h3,5-6H,1-2H3
InChIKeyHXKAMSYMKXBBPP-UHFFFAOYSA-N
XLogP-0.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-dihydrotriazole?
The IUPAC name of 3,5-dimethyl-1,2-dihydrotriazole (CID 59556528) is 3,5-dimethyl-1,2-dihydrotriazole.
What is the SMILES notation for 3,5-dimethyl-1,2-dihydrotriazole?
The canonical SMILES for 3,5-dimethyl-1,2-dihydrotriazole is CC1=CN(C)NN1.
What is the InChIKey of 3,5-dimethyl-1,2-dihydrotriazole?
The InChIKey is HXKAMSYMKXBBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-4-3-7(2)6-5-4/h3,5-6H,1-2H3.
What are the key properties of 3,5-dimethyl-1,2-dihydrotriazole?
3,5-dimethyl-1,2-dihydrotriazole has a molecular weight of 99.14 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-dihydrotriazole is sourced from PubChem (CID 59556528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).