5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

C4H2BrN6- — CID 7245114

IUPAC5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESBrc1cnn(-c2nnn[n-]2)c1
InChIInChI=1S/C4H2BrN6/c5-3-1-6-11(2-3)4-7-9-10-8-4/h1-2H/q-1
InChIKeyWKHFCMWVSXPVBK-UHFFFAOYSA-N
MW214.01 g/mol
LogP-0.22
Rot. Bonds1

About 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene

5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (PubChem CID 7245114) has the molecular formula C4H2BrN6- and a molecular weight of 214.01 g/mol. Its IUPAC name is 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
PubChem CID7245114
Molecular FormulaC4H2BrN6-
Molecular Weight214.01 g/mol
Exact Mass212.95
IUPAC Name5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene
SMILESBrc1cnn(-c2nnn[n-]2)c1
InChIInChI=1S/C4H2BrN6/c5-3-1-6-11(2-3)4-7-9-10-8-4/h1-2H/q-1
InChIKeyWKHFCMWVSXPVBK-UHFFFAOYSA-N
XLogP-0.22
TPSA70.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.01
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene (CID 7245114) is 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is Brc1cnn(-c2nnn[n-]2)c1.
What is the InChIKey of 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is WKHFCMWVSXPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrN6/c5-3-1-6-11(2-3)4-7-9-10-8-4/h1-2H/q-1.
What are the key properties of 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene?
5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 214.01 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromopyrazol-1-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 7245114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).