(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine

C6H7BrN6 — CID 50989012

IUPAC(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
SMILESCn1nc(Br)c2c(NN)ncnc21
InChIInChI=1S/C6H7BrN6/c1-13-6-3(4(7)12-13)5(11-8)9-2-10-6/h2H,8H2,1H3,(H,9,10,11)
InChIKeyNFTNTDVIOYCDIV-UHFFFAOYSA-N
MW243.07 g/mol
LogP0.41
Rot. Bonds1

About (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine

(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine (PubChem CID 50989012) has the molecular formula C6H7BrN6 and a molecular weight of 243.07 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
PubChem CID50989012
Molecular FormulaC6H7BrN6
Molecular Weight243.07 g/mol
Exact Mass241.99
IUPAC Name(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
SMILESCn1nc(Br)c2c(NN)ncnc21
InChIInChI=1S/C6H7BrN6/c1-13-6-3(4(7)12-13)5(11-8)9-2-10-6/h2H,8H2,1H3,(H,9,10,11)
InChIKeyNFTNTDVIOYCDIV-UHFFFAOYSA-N
XLogP0.41
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-iodo-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 1519489
4-Hydrazinyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 219785
3-Bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 12778934
1-ethyl-4-hydrazinyl-1H-pyrazolo[3,4-d]pyrimidine
CID 132549021
3-Bromo-4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 47003144
3-bromo-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 53375434
3-Bromo-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 58597145
N-(2-aminoethyl)-3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 50989011
1-Methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine
CID 366549
3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
CID 615116

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
The IUPAC name of (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine (CID 50989012) is (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine.
What is the SMILES notation for (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
The canonical SMILES for (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine is Cn1nc(Br)c2c(NN)ncnc21.
What is the InChIKey of (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
The InChIKey is NFTNTDVIOYCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN6/c1-13-6-3(4(7)12-13)5(11-8)9-2-10-6/h2H,8H2,1H3,(H,9,10,11).
What are the key properties of (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine?
(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine has a molecular weight of 243.07 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazine is sourced from PubChem (CID 50989012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).