5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

C11H19N7 — CID 79543047

IUPAC5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCC(C)c1c(N)nnn1Cc1ncnn1C(C)C
InChIInChI=1S/C11H19N7/c1-7(2)10-11(12)15-16-17(10)5-9-13-6-14-18(9)8(3)4/h6-8H,5,12H2,1-4H3
InChIKeyVIWMVYOMQAVKNH-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.20
Rot. Bonds4

About 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79543047) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79543047
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCC(C)c1c(N)nnn1Cc1ncnn1C(C)C
InChIInChI=1S/C11H19N7/c1-7(2)10-11(12)15-16-17(10)5-9-13-6-14-18(9)8(3)4/h6-8H,5,12H2,1-4H3
InChIKeyVIWMVYOMQAVKNH-UHFFFAOYSA-N
XLogP1.20
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79543047) is 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is CC(C)c1c(N)nnn1Cc1ncnn1C(C)C.
What is the InChIKey of 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is VIWMVYOMQAVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-7(2)10-11(12)15-16-17(10)5-9-13-6-14-18(9)8(3)4/h6-8H,5,12H2,1-4H3.
What are the key properties of 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 249.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79543047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).