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

C11H19N7 — CID 79541977

IUPAC5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCn1ncnc1Cn1nnc(N)c1C(C)C
InChIInChI=1S/C11H19N7/c1-4-5-17-9(13-7-14-17)6-18-10(8(2)3)11(12)15-16-18/h7-8H,4-6,12H2,1-3H3
InChIKeyVOFMHXSTRWDQEK-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.03
Rot. Bonds5

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

5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79541977) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79541977
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCCn1ncnc1Cn1nnc(N)c1C(C)C
InChIInChI=1S/C11H19N7/c1-4-5-17-9(13-7-14-17)6-18-10(8(2)3)11(12)15-16-18/h7-8H,4-6,12H2,1-3H3
InChIKeyVOFMHXSTRWDQEK-UHFFFAOYSA-N
XLogP1.03
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.03
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-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79541977) is 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is CCCn1ncnc1Cn1nnc(N)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is VOFMHXSTRWDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-4-5-17-9(13-7-14-17)6-18-10(8(2)3)11(12)15-16-18/h7-8H,4-6,12H2,1-3H3.
What are the key properties of 5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 249.32 g/mol, XLogP of 1.03, 5 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-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79541977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).