4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine

C6H7BrN6 — CID 130486914

IUPAC4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine
SMILESCn1nncc1-n1cc(Br)c(N)n1
InChIInChI=1S/C6H7BrN6/c1-12-5(2-9-11-12)13-3-4(7)6(8)10-13/h2-3H,1H3,(H2,8,10)
InChIKeyPMMDXEFBPIPAKU-UHFFFAOYSA-N
MW243.07 g/mol
LogP0.35
Rot. Bonds1

About 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine

4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine (PubChem CID 130486914) has the molecular formula C6H7BrN6 and a molecular weight of 243.07 g/mol. Its IUPAC name is 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine
PubChem CID130486914
Molecular FormulaC6H7BrN6
Molecular Weight243.07 g/mol
Exact Mass241.99
IUPAC Name4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine
SMILESCn1nncc1-n1cc(Br)c(N)n1
InChIInChI=1S/C6H7BrN6/c1-12-5(2-9-11-12)13-3-4(7)6(8)10-13/h2-3H,1H3,(H2,8,10)
InChIKeyPMMDXEFBPIPAKU-UHFFFAOYSA-N
XLogP0.35
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-1-(5-bromo-4-methyl-2-pyridinyl)pyrazol-3-amine
CID 114869716
4-bromo-1-(4-methyl-1,3-thiazol-2-yl)pyrazol-3-amine
CID 61177547
4-bromo-1-(3-bromo-4-pyridinyl)pyrazol-3-amine
CID 104777834
4-bromo-1-pyrazin-2-ylpyrazol-3-amine
CID 61176052
4-bromo-1-quinoxalin-2-ylpyrazol-3-amine
CID 62359134
4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
CID 83867278
4-bromo-1-(2,6-dimethylpyrimidin-4-yl)pyrazol-3-amine
CID 61176048
5-imidazol-1-yl-1-methyltriazole
CID 130487226
4-bromo-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazol-3-amine
CID 61177372
2-(3-amino-4-bromopyrazol-1-yl)benzonitrile
CID 61177381
4-bromo-1-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 55062140
4,5-dimethyl-6-(3-methyltriazol-4-yl)pyridazin-3-amine
CID 114690975

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine (CID 130486914) is 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine is Cn1nncc1-n1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine?
The InChIKey is PMMDXEFBPIPAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN6/c1-12-5(2-9-11-12)13-3-4(7)6(8)10-13/h2-3H,1H3,(H2,8,10).
What are the key properties of 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine?
4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine has a molecular weight of 243.07 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-methyltriazol-4-yl)pyrazol-3-amine is sourced from PubChem (CID 130486914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).