4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C10H11BrN8 — CID 106463771

IUPAC4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCNc1nc(-c2c(Br)nnn2C)c2cn[nH]c2n1
InChIInChI=1S/C10H11BrN8/c1-3-12-10-14-6(5-4-13-17-9(5)15-10)7-8(11)16-18-19(7)2/h4H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyZXENHIHIJHJPSV-UHFFFAOYSA-N
MW323.16 g/mol
LogP1.34
Rot. Bonds3

About 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 106463771) has the molecular formula C10H11BrN8 and a molecular weight of 323.16 g/mol. Its IUPAC name is 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID106463771
Molecular FormulaC10H11BrN8
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCNc1nc(-c2c(Br)nnn2C)c2cn[nH]c2n1
InChIInChI=1S/C10H11BrN8/c1-3-12-10-14-6(5-4-13-17-9(5)15-10)7-8(11)16-18-19(7)2/h4H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyZXENHIHIJHJPSV-UHFFFAOYSA-N
XLogP1.34
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 106463771) is 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine is CCNc1nc(-c2c(Br)nnn2C)c2cn[nH]c2n1.
What is the InChIKey of 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is ZXENHIHIJHJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN8/c1-3-12-10-14-6(5-4-13-17-9(5)15-10)7-8(11)16-18-19(7)2/h4H,3H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 323.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 106463771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).