5-cyclopropyl-1,4-dimethyltriazole

C7H11N3 — CID 126758944

IUPAC5-cyclopropyl-1,4-dimethyltriazole
SMILESCc1nnn(C)c1C1CC1
InChIInChI=1S/C7H11N3/c1-5-7(6-3-4-6)10(2)9-8-5/h6H,3-4H2,1-2H3
InChIKeyYFIZXXDUWBPWFU-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.00
Rot. Bonds1

About 5-cyclopropyl-1,4-dimethyltriazole

5-cyclopropyl-1,4-dimethyltriazole (PubChem CID 126758944) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-cyclopropyl-1,4-dimethyltriazole.

Molecular Properties

Compound Name5-cyclopropyl-1,4-dimethyltriazole
PubChem CID126758944
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-cyclopropyl-1,4-dimethyltriazole
SMILESCc1nnn(C)c1C1CC1
InChIInChI=1S/C7H11N3/c1-5-7(6-3-4-6)10(2)9-8-5/h6H,3-4H2,1-2H3
InChIKeyYFIZXXDUWBPWFU-UHFFFAOYSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,4-dimethyltriazole?
The IUPAC name of 5-cyclopropyl-1,4-dimethyltriazole (CID 126758944) is 5-cyclopropyl-1,4-dimethyltriazole.
What is the SMILES notation for 5-cyclopropyl-1,4-dimethyltriazole?
The canonical SMILES for 5-cyclopropyl-1,4-dimethyltriazole is Cc1nnn(C)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,4-dimethyltriazole?
The InChIKey is YFIZXXDUWBPWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5-7(6-3-4-6)10(2)9-8-5/h6H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-1,4-dimethyltriazole?
5-cyclopropyl-1,4-dimethyltriazole has a molecular weight of 137.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,4-dimethyltriazole is sourced from PubChem (CID 126758944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).