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

C11H19N7 — CID 79541993

IUPAC5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCc1c(N)nnn1Cc1ncnn1CCC
InChIInChI=1S/C11H19N7/c1-3-5-9-11(12)15-16-18(9)7-10-13-8-14-17(10)6-4-2/h8H,3-7,12H2,1-2H3
InChIKeyZFRHCKIDGLZWCE-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.86
Rot. Bonds6

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

5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79541993) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79541993
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCc1c(N)nnn1Cc1ncnn1CCC
InChIInChI=1S/C11H19N7/c1-3-5-9-11(12)15-16-18(9)7-10-13-8-14-17(10)6-4-2/h8H,3-7,12H2,1-2H3
InChIKeyZFRHCKIDGLZWCE-UHFFFAOYSA-N
XLogP0.86
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79541993) is 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is CCCc1c(N)nnn1Cc1ncnn1CCC.
What is the InChIKey of 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is ZFRHCKIDGLZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-3-5-9-11(12)15-16-18(9)7-10-13-8-14-17(10)6-4-2/h8H,3-7,12H2,1-2H3.
What are the key properties of 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 249.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79541993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).