6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine

C10H13BrN6 — CID 106463819

IUPAC6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2c(Br)nnn2C)n1
InChIInChI=1S/C10H13BrN6/c1-3-4-13-8-6-12-5-7(14-8)9-10(11)15-16-17(9)2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyRYPTUSCBQMOVBE-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.86
Rot. Bonds4

About 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine

6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine (PubChem CID 106463819) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine
PubChem CID106463819
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC Name6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2c(Br)nnn2C)n1
InChIInChI=1S/C10H13BrN6/c1-3-4-13-8-6-12-5-7(14-8)9-10(11)15-16-17(9)2/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyRYPTUSCBQMOVBE-UHFFFAOYSA-N
XLogP1.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-bromo-3-methyltriazol-4-yl)-N,2-dipropylpyrimidin-4-amine
CID 106463766
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80821706
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-(5-bromo-3-methyltriazol-4-yl)-5-methoxy-N-propylpyrimidin-4-amine
CID 106463748
N-propyl-6-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341800
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823
6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrazin-2-amine
CID 114747256
6-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylpyrazin-2-amine
CID 112744663
2-N-(4-methylpiperazin-1-yl)-6-N-propylpyrazine-2,6-diamine
CID 83028182
2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80847855
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine (CID 106463819) is 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine is CCCNc1cncc(-c2c(Br)nnn2C)n1.
What is the InChIKey of 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine?
The InChIKey is RYPTUSCBQMOVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6/c1-3-4-13-8-6-12-5-7(14-8)9-10(11)15-16-17(9)2/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine?
6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine has a molecular weight of 297.16 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-methyltriazol-4-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 106463819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).