1-propan-2-yl-4,5-dipropyltriazole

C11H21N3 — CID 69382334

IUPAC1-propan-2-yl-4,5-dipropyltriazole
SMILESCCCc1nnn(C(C)C)c1CCC
InChIInChI=1S/C11H21N3/c1-5-7-10-11(8-6-2)14(9(3)4)13-12-10/h9H,5-8H2,1-4H3
InChIKeyJMRVZTUHZGXQAX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.76
Rot. Bonds5

About 1-propan-2-yl-4,5-dipropyltriazole

1-propan-2-yl-4,5-dipropyltriazole (PubChem CID 69382334) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-propan-2-yl-4,5-dipropyltriazole.

Molecular Properties

Compound Name1-propan-2-yl-4,5-dipropyltriazole
PubChem CID69382334
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-propan-2-yl-4,5-dipropyltriazole
SMILESCCCc1nnn(C(C)C)c1CCC
InChIInChI=1S/C11H21N3/c1-5-7-10-11(8-6-2)14(9(3)4)13-12-10/h9H,5-8H2,1-4H3
InChIKeyJMRVZTUHZGXQAX-UHFFFAOYSA-N
XLogP2.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5-dipropyltriazole?
The IUPAC name of 1-propan-2-yl-4,5-dipropyltriazole (CID 69382334) is 1-propan-2-yl-4,5-dipropyltriazole.
What is the SMILES notation for 1-propan-2-yl-4,5-dipropyltriazole?
The canonical SMILES for 1-propan-2-yl-4,5-dipropyltriazole is CCCc1nnn(C(C)C)c1CCC.
What is the InChIKey of 1-propan-2-yl-4,5-dipropyltriazole?
The InChIKey is JMRVZTUHZGXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-7-10-11(8-6-2)14(9(3)4)13-12-10/h9H,5-8H2,1-4H3.
What are the key properties of 1-propan-2-yl-4,5-dipropyltriazole?
1-propan-2-yl-4,5-dipropyltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5-dipropyltriazole is sourced from PubChem (CID 69382334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).