1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine

C10H15BrN6 — CID 79543366

IUPAC1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
SMILESCCc1nn(CC)c(Cn2cc(N)nn2)c1Br
InChIInChI=1S/C10H15BrN6/c1-3-7-10(11)8(17(4-2)14-7)5-16-6-9(12)13-15-16/h6H,3-5,12H2,1-2H3
InChIKeyDHMCZLJMTCUODR-UHFFFAOYSA-N
MW299.18 g/mol
LogP1.45
Rot. Bonds4

About 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine

1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine (PubChem CID 79543366) has the molecular formula C10H15BrN6 and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
PubChem CID79543366
Molecular FormulaC10H15BrN6
Molecular Weight299.18 g/mol
Exact Mass298.05
IUPAC Name1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine
SMILESCCc1nn(CC)c(Cn2cc(N)nn2)c1Br
InChIInChI=1S/C10H15BrN6/c1-3-7-10(11)8(17(4-2)14-7)5-16-6-9(12)13-15-16/h6H,3-5,12H2,1-2H3
InChIKeyDHMCZLJMTCUODR-UHFFFAOYSA-N
XLogP1.45
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine (CID 79543366) is 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine is CCc1nn(CC)c(Cn2cc(N)nn2)c1Br.
What is the InChIKey of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine?
The InChIKey is DHMCZLJMTCUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN6/c1-3-7-10(11)8(17(4-2)14-7)5-16-6-9(12)13-15-16/h6H,3-5,12H2,1-2H3.
What are the key properties of 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine?
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine has a molecular weight of 299.18 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79543366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).