3,4,5-tri(propan-2-yl)-1,2,4-triazole

C11H21N3 — CID 58164781

IUPAC3,4,5-tri(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C(C)C)n1C(C)C
InChIInChI=1S/C11H21N3/c1-7(2)10-12-13-11(8(3)4)14(10)9(5)6/h7-9H,1-6H3
InChIKeyFVPKGRRURLBKSN-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.11
Rot. Bonds3

About 3,4,5-tri(propan-2-yl)-1,2,4-triazole

3,4,5-tri(propan-2-yl)-1,2,4-triazole (PubChem CID 58164781) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3,4,5-tri(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4,5-tri(propan-2-yl)-1,2,4-triazole
PubChem CID58164781
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3,4,5-tri(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nnc(C(C)C)n1C(C)C
InChIInChI=1S/C11H21N3/c1-7(2)10-12-13-11(8(3)4)14(10)9(5)6/h7-9H,1-6H3
InChIKeyFVPKGRRURLBKSN-UHFFFAOYSA-N
XLogP3.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tri(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 3,4,5-tri(propan-2-yl)-1,2,4-triazole (CID 58164781) is 3,4,5-tri(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3,4,5-tri(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3,4,5-tri(propan-2-yl)-1,2,4-triazole is CC(C)c1nnc(C(C)C)n1C(C)C.
What is the InChIKey of 3,4,5-tri(propan-2-yl)-1,2,4-triazole?
The InChIKey is FVPKGRRURLBKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)10-12-13-11(8(3)4)14(10)9(5)6/h7-9H,1-6H3.
What are the key properties of 3,4,5-tri(propan-2-yl)-1,2,4-triazole?
3,4,5-tri(propan-2-yl)-1,2,4-triazole has a molecular weight of 195.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tri(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 58164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).