1,4-dimethyltriazole;methylcyclobutane

C9H17N3 — CID 143598410

IUPAC1,4-dimethyltriazole;methylcyclobutane
SMILESCC1CCC1.Cc1cn(C)nn1
InChIInChI=1S/C5H10.C4H7N3/c1-5-3-2-4-5;1-4-3-7(2)6-5-4/h5H,2-4H2,1H3;3H,1-2H3
InChIKeyNYNRBQRVEDZXLU-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.93
Rot. Bonds

About 1,4-dimethyltriazole;methylcyclobutane

1,4-dimethyltriazole;methylcyclobutane (PubChem CID 143598410) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,4-dimethyltriazole;methylcyclobutane.

Molecular Properties

Compound Name1,4-dimethyltriazole;methylcyclobutane
PubChem CID143598410
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,4-dimethyltriazole;methylcyclobutane
SMILESCC1CCC1.Cc1cn(C)nn1
InChIInChI=1S/C5H10.C4H7N3/c1-5-3-2-4-5;1-4-3-7(2)6-5-4/h5H,2-4H2,1H3;3H,1-2H3
InChIKeyNYNRBQRVEDZXLU-UHFFFAOYSA-N
XLogP1.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyltriazole;methylcyclobutane?
The IUPAC name of 1,4-dimethyltriazole;methylcyclobutane (CID 143598410) is 1,4-dimethyltriazole;methylcyclobutane.
What is the SMILES notation for 1,4-dimethyltriazole;methylcyclobutane?
The canonical SMILES for 1,4-dimethyltriazole;methylcyclobutane is CC1CCC1.Cc1cn(C)nn1.
What is the InChIKey of 1,4-dimethyltriazole;methylcyclobutane?
The InChIKey is NYNRBQRVEDZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H7N3/c1-5-3-2-4-5;1-4-3-7(2)6-5-4/h5H,2-4H2,1H3;3H,1-2H3.
What are the key properties of 1,4-dimethyltriazole;methylcyclobutane?
1,4-dimethyltriazole;methylcyclobutane has a molecular weight of 167.26 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyltriazole;methylcyclobutane is sourced from PubChem (CID 143598410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).