5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine

C8H11BrN6 — CID 103098470

IUPAC5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine
SMILESCn1cc(CCn2nc(N)nc2Br)cn1
InChIInChI=1S/C8H11BrN6/c1-14-5-6(4-11-14)2-3-15-7(9)12-8(10)13-15/h4-5H,2-3H2,1H3,(H2,10,13)
InChIKeyIGNAXSZOCNORRB-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.60
Rot. Bonds3

About 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine

5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine (PubChem CID 103098470) has the molecular formula C8H11BrN6 and a molecular weight of 271.12 g/mol. Its IUPAC name is 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine
PubChem CID103098470
Molecular FormulaC8H11BrN6
Molecular Weight271.12 g/mol
Exact Mass270.02
IUPAC Name5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine
SMILESCn1cc(CCn2nc(N)nc2Br)cn1
InChIInChI=1S/C8H11BrN6/c1-14-5-6(4-11-14)2-3-15-7(9)12-8(10)13-15/h4-5H,2-3H2,1H3,(H2,10,13)
InChIKeyIGNAXSZOCNORRB-UHFFFAOYSA-N
XLogP0.60
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1-[(1-methylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 103098687
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
[1-[2-(1-methylpyrazol-4-yl)ethyl]indazol-3-yl]methanamine
CID 103015702
4-bromo-2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]aniline
CID 103003195
5-bromo-6-fluoro-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazol-2-amine
CID 80688890
4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 103004599
5-bromo-1-(2-propoxyethyl)-1,2,4-triazol-3-amine
CID 106452735
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-amine
CID 103015435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine (CID 103098470) is 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine is Cn1cc(CCn2nc(N)nc2Br)cn1.
What is the InChIKey of 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine?
The InChIKey is IGNAXSZOCNORRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN6/c1-14-5-6(4-11-14)2-3-15-7(9)12-8(10)13-15/h4-5H,2-3H2,1H3,(H2,10,13).
What are the key properties of 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine?
5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine has a molecular weight of 271.12 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).